CID 10158064

Schembl5421775

Structural Information

Molecular Formula
C23H22ClN5
SMILES
CC1=CC=C(C=C1)C2=C(N3C=CC=C(C3=N2)Cl)C4=NC(=NC=C4)NC5CCCC5
InChI
InChI=1S/C23H22ClN5/c1-15-8-10-16(11-9-15)20-21(29-14-4-7-18(24)22(29)28-20)19-12-13-25-23(27-19)26-17-5-2-3-6-17/h4,7-14,17H,2-3,5-6H2,1H3,(H,25,26,27)
InChIKey
OSVNQLYQUHVVAG-UHFFFAOYSA-N
Compound name
4-[8-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

403.15637 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.16365 197.2
[M+Na]+ 426.14559 206.7
[M-H]- 402.14909 206.2
[M+NH4]+ 421.19019 207.3
[M+K]+ 442.11953 197.4
[M+H-H2O]+ 386.15363 184.6
[M+HCOO]- 448.15457 211.6
[M+CH3COO]- 462.17022 206.2
[M+Na-2H]- 424.13104 196.8
[M]+ 403.15582 198.6
[M]- 403.15692 198.6
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