PubChemLite - 2-(4-butoxyphenyl)-n-cyclopentyl-4-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine (C31H38N6O)

Structural Information

Molecular Formula

SMILES

CCCCOC1=CC=C(C=C1)C2=NN3C(=CC=C(C3=C2)C4=NC(=NC=C4)NC5CCCC5)NC6CCCC6

InChI

InChI=1S/C31H38N6O/c1-2-3-20-38-25-14-12-22(13-15-25)28-21-29-26(16-17-30(37(29)36-28)33-23-8-4-5-9-23)27-18-19-32-31(35-27)34-24-10-6-7-11-24/h12-19,21,23-24,33H,2-11,20H2,1H3,(H,32,34,35)

InChIKey

NZPUYMKERONPPN-UHFFFAOYSA-N

Compound name

2-(4-butoxyphenyl)-N-cyclopentyl-4-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine

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]+	511.31798	215.8
[M+Na]+	533.29992	218.4
[M-H]-	509.30342	227.5
[M+NH4]+	528.34452	221.5
[M+K]+	549.27386	210.8
[M+H-H2O]+	493.30796	202.7
[M+HCOO]-	555.30890	232.9
[M+CH3COO]-	569.32455	221.9
[M+Na-2H]-	531.28537	211.1
[M]+	510.31015	214.2
[M]-	510.31125	214.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

511.31798

215.8

[M+Na]+

533.29992

218.4

[M-H]-

509.30342

227.5

[M+NH4]+

528.34452

221.5

[M+K]+

549.27386

210.8

[M+H-H2O]+

493.30796

202.7

[M+HCOO]-

555.30890

232.9

[M+CH3COO]-

569.32455

221.9

[M+Na-2H]-

531.28537

211.1

[M]+

510.31015

214.2

[M]-

510.31125

214.2

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

2-(4-butoxyphenyl)-n-cyclopentyl-4-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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