CID 10136552

4-[8-chloro-3-[2-(cyclopentylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzonitrile

Structural Information

Molecular Formula
C23H19ClN6
SMILES
C1CCC(C1)NC2=NC=CC(=N2)C3=C(N=C4N3C=CC=C4Cl)C5=CC=C(C=C5)C#N
InChI
InChI=1S/C23H19ClN6/c24-18-6-3-13-30-21(19-11-12-26-23(28-19)27-17-4-1-2-5-17)20(29-22(18)30)16-9-7-15(14-25)8-10-16/h3,6-13,17H,1-2,4-5H2,(H,26,27,28)
InChIKey
FLKGKNOQNITLBY-UHFFFAOYSA-N
Compound name
4-[8-chloro-3-[2-(cyclopentylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

414.136 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.14328 199.3
[M+Na]+ 437.12522 210.6
[M-H]- 413.12872 204.0
[M+NH4]+ 432.16982 206.8
[M+K]+ 453.09916 198.0
[M+H-H2O]+ 397.13326 179.6
[M+HCOO]- 459.13420 209.8
[M+CH3COO]- 473.14985 205.8
[M+Na-2H]- 435.11067 198.1
[M]+ 414.13545 194.5
[M]- 414.13655 194.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe