CID 10134921

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

Structural Information

Molecular Formula
C22H20FN5O
SMILES
C1CCC(C1)NC2=NC=CC(=N2)C3=C(N=C4N3C=CC=C4O)C5=CC=C(C=C5)F
InChI
InChI=1S/C22H20FN5O/c23-15-9-7-14(8-10-15)19-20(28-13-3-6-18(29)21(28)27-19)17-11-12-24-22(26-17)25-16-4-1-2-5-16/h3,6-13,16,29H,1-2,4-5H2,(H,24,25,26)
InChIKey
UQKWYOKJTAQZEW-UHFFFAOYSA-N
Compound name
3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

389.1652 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.17248 188.9
[M+Na]+ 412.15442 197.7
[M-H]- 388.15792 196.2
[M+NH4]+ 407.19902 198.1
[M+K]+ 428.12836 189.2
[M+H-H2O]+ 372.16246 176.4
[M+HCOO]- 434.16340 206.3
[M+CH3COO]- 448.17905 197.8
[M+Na-2H]- 410.13987 189.3
[M]+ 389.16465 186.8
[M]- 389.16575 186.8
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