PubChemLite - Cfi-402257 (C28H30N6O3)

Structural Information

Molecular Formula

SMILES

CC1=C(C=CC(=C1)C2=C3N=C(C=C(N3N=C2)NCC4CC(C4)(C)O)OC5=CN=CC=C5)C(=O)NC6CC6

InChI

InChI=1S/C28H30N6O3/c1-17-10-19(5-8-22(17)27(35)32-20-6-7-20)23-16-31-34-24(30-14-18-12-28(2,36)13-18)11-25(33-26(23)34)37-21-4-3-9-29-15-21/h3-5,8-11,15-16,18,20,30,36H,6-7,12-14H2,1-2H3,(H,32,35)

InChIKey

PMQUGSPFUBGJCZ-UHFFFAOYSA-N

Compound name

N-cyclopropyl-4-[7-[(3-hydroxy-3-methylcyclobutyl)methylamino]-5-pyridin-3-yloxypyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide

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]+	499.24523	223.7
[M+Na]+	521.22717	230.0
[M-H]-	497.23067	233.3
[M+NH4]+	516.27177	218.0
[M+K]+	537.20111	225.6
[M+H-H2O]+	481.23521	207.2
[M+HCOO]-	543.23615	239.3
[M+CH3COO]-	557.25180	228.9
[M+Na-2H]-	519.21262	223.6
[M]+	498.23740	235.4
[M]-	498.23850	235.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

499.24523

223.7

[M+Na]+

521.22717

230.0

[M-H]-

497.23067

233.3

[M+NH4]+

516.27177

218.0

[M+K]+

537.20111

225.6

[M+H-H2O]+

481.23521

207.2

[M+HCOO]-

543.23615

239.3

[M+CH3COO]-

557.25180

228.9

[M+Na-2H]-

519.21262

223.6

[M]+

498.23740

235.4

[M]-

498.23850

235.4

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

Cfi-402257

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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