PubChemLite - Schembl5407949 (C30H34FN7O2)

Structural Information

Molecular Formula

SMILES

C1CCC(C1)NC2=NC=CC(=N2)C3=C(N=C4N3C=C(C=C4N5CCOCC5)N6CCOCC6)C7=CC=C(C=C7)F

InChI

InChI=1S/C30H34FN7O2/c31-22-7-5-21(6-8-22)27-28(25-9-10-32-30(34-25)33-23-3-1-2-4-23)38-20-24(36-11-15-39-16-12-36)19-26(29(38)35-27)37-13-17-40-18-14-37/h5-10,19-20,23H,1-4,11-18H2,(H,32,33,34)

InChIKey

DISYKLPBBBZJFY-UHFFFAOYSA-N

Compound name

N-cyclopentyl-4-[2-(4-fluorophenyl)-6,8-dimorpholin-4-ylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-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]+	544.28308	225.2
[M+Na]+	566.26502	228.1
[M-H]-	542.26852	235.4
[M+NH4]+	561.30962	221.5
[M+K]+	582.23896	220.9
[M+H-H2O]+	526.27306	208.4
[M+HCOO]-	588.27400	230.1
[M+CH3COO]-	602.28965	228.3
[M+Na-2H]-	564.25047	218.1
[M]+	543.27525	217.4
[M]-	543.27635	217.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

544.28308

225.2

[M+Na]+

566.26502

228.1

[M-H]-

542.26852

235.4

[M+NH4]+

561.30962

221.5

[M+K]+

582.23896

220.9

[M+H-H2O]+

526.27306

208.4

[M+HCOO]-

588.27400

230.1

[M+CH3COO]-

602.28965

228.3

[M+Na-2H]-

564.25047

218.1

[M]+

543.27525

217.4

[M]-

543.27635

217.4

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

Schembl5407949

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe