PubChemLite - Chembl569795 (C30H35N7O)

Structural Information

Molecular Formula

SMILES

C1CCC(C1)NC2=NC=CC(=N2)C3=C4C=CN=C(N4N=C3C5=CC=C(C=C5)OCC6CC6)NC7CCCC7

InChI

InChI=1S/C30H35N7O/c1-2-6-22(5-1)33-29-31-17-15-25(35-29)27-26-16-18-32-30(34-23-7-3-4-8-23)37(26)36-28(27)21-11-13-24(14-12-21)38-19-20-9-10-20/h11-18,20,22-23H,1-10,19H2,(H,32,34)(H,31,33,35)

InChIKey

CVLQOIWSUROWQY-UHFFFAOYSA-N

Compound name

N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[4-(cyclopropylmethoxy)phenyl]pyrazolo[1,5-c]pyrimidin-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]+	510.29758	210.9
[M+Na]+	532.27952	216.0
[M-H]-	508.28302	223.8
[M+NH4]+	527.32412	211.0
[M+K]+	548.25346	207.0
[M+H-H2O]+	492.28756	199.7
[M+HCOO]-	554.28850	227.8
[M+CH3COO]-	568.30415	216.7
[M+Na-2H]-	530.26497	206.8
[M]+	509.28975	210.3
[M]-	509.29085	210.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

510.29758

210.9

[M+Na]+

532.27952

216.0

[M-H]-

508.28302

223.8

[M+NH4]+

527.32412

211.0

[M+K]+

548.25346

207.0

[M+H-H2O]+

492.28756

199.7

[M+HCOO]-

554.28850

227.8

[M+CH3COO]-

568.30415

216.7

[M+Na-2H]-

530.26497

206.8

[M]+

509.28975

210.3

[M]-

509.29085

210.3

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

Chembl569795

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe