CID 10178283

Chembl229989

Structural Information

Molecular Formula
C23H22FN5
SMILES
CC1=CC=CN2C1=NC(=C2C3=NC(=NC=C3)NC4CCCC4)C5=CC=C(C=C5)F
InChI
InChI=1S/C23H22FN5/c1-15-5-4-14-29-21(20(28-22(15)29)16-8-10-17(24)11-9-16)19-12-13-25-23(27-19)26-18-6-2-3-7-18/h4-5,8-14,18H,2-3,6-7H2,1H3,(H,25,26,27)
InChIKey
QXFHXADPSUXSBL-UHFFFAOYSA-N
Compound name
N-cyclopentyl-4-[2-(4-fluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

387.1859 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.19318 191.5
[M+Na]+ 410.17512 200.5
[M-H]- 386.17862 199.7
[M+NH4]+ 405.21972 201.5
[M+K]+ 426.14906 191.8
[M+H-H2O]+ 370.18316 178.4
[M+HCOO]- 432.18410 209.7
[M+CH3COO]- 446.19975 200.7
[M+Na-2H]- 408.16057 191.4
[M]+ 387.18535 190.0
[M]- 387.18645 190.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe