PubChemLite - N-[3-[7-(cyclopentylamino)-4-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]methanesulfonamide (C28H33N7O2S)

Structural Information

Molecular Formula

SMILES

CS(=O)(=O)NC1=CC=CC(=C1)C2=NN3C(=CC=C(C3=C2)C4=NC(=NC=C4)NC5CCCC5)NC6CCCC6

InChI

InChI=1S/C28H33N7O2S/c1-38(36,37)34-22-12-6-7-19(17-22)25-18-26-23(13-14-27(35(26)33-25)30-20-8-2-3-9-20)24-15-16-29-28(32-24)31-21-10-4-5-11-21/h6-7,12-18,20-21,30,34H,2-5,8-11H2,1H3,(H,29,31,32)

InChIKey

WVKRBSBOGMVSBP-UHFFFAOYSA-N

Compound name

N-[3-[7-(cyclopentylamino)-4-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]methanesulfonamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	532.24892	215.4
[M+Na]+	554.23086	220.5
[M-H]-	530.23436	228.5
[M+NH4]+	549.27546	221.3
[M+K]+	570.20480	214.0
[M+H-H2O]+	514.23890	206.0
[M+HCOO]-	576.23984	229.8
[M+CH3COO]-	590.25549	222.3
[M+Na-2H]-	552.21631	214.3
[M]+	531.24109	215.3
[M]-	531.24219	215.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

532.24892

215.4

[M+Na]+

554.23086

220.5

[M-H]-

530.23436

228.5

[M+NH4]+

549.27546

221.3

[M+K]+

570.20480

214.0

[M+H-H2O]+

514.23890

206.0

[M+HCOO]-

576.23984

229.8

[M+CH3COO]-

590.25549

222.3

[M+Na-2H]-

552.21631

214.3

[M]+

531.24109

215.3

[M]-

531.24219

215.3

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

N-[3-[7-(cyclopentylamino)-4-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]methanesulfonamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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