PubChemLite - N-[3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-yl]morpholin-4-amine (C26H28FN7O)

Structural Information

Molecular Formula

SMILES

C1CCC(C1)NC2=NC=CC(=N2)C3=C4C=CC=C(N4N=C3C5=CC=C(C=C5)F)NN6CCOCC6

InChI

InChI=1S/C26H28FN7O/c27-19-10-8-18(9-11-19)25-24(21-12-13-28-26(30-21)29-20-4-1-2-5-20)22-6-3-7-23(34(22)32-25)31-33-14-16-35-17-15-33/h3,6-13,20,31H,1-2,4-5,14-17H2,(H,28,29,30)

InChIKey

QLAXGMMHQKZBQB-UHFFFAOYSA-N

Compound name

N-[3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-yl]morpholin-4-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]+	474.24123	206.3
[M+Na]+	496.22317	211.1
[M-H]-	472.22667	215.6
[M+NH4]+	491.26777	208.7
[M+K]+	512.19711	203.4
[M+H-H2O]+	456.23121	191.3
[M+HCOO]-	518.23215	219.2
[M+CH3COO]-	532.24780	212.2
[M+Na-2H]-	494.20862	205.1
[M]+	473.23340	201.0
[M]-	473.23450	201.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

474.24123

206.3

[M+Na]+

496.22317

211.1

[M-H]-

472.22667

215.6

[M+NH4]+

491.26777

208.7

[M+K]+

512.19711

203.4

[M+H-H2O]+

456.23121

191.3

[M+HCOO]-

518.23215

219.2

[M+CH3COO]-

532.24780

212.2

[M+Na-2H]-

494.20862

205.1

[M]+

473.23340

201.0

[M]-

473.23450

201.0

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

N-[3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-yl]morpholin-4-amine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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