CID 6478034

Bms-433771

Structural Information

Molecular Formula
C21H23N5O2
SMILES
C1CC1N2C3=C(C=NC=C3)N(C2=O)CC4=NC5=CC=CC=C5N4CCCCO
InChI
InChI=1S/C21H23N5O2/c27-12-4-3-11-24-17-6-2-1-5-16(17)23-20(24)14-25-19-13-22-10-9-18(19)26(21(25)28)15-7-8-15/h1-2,5-6,9-10,13,15,27H,3-4,7-8,11-12,14H2
InChIKey
KSHJXDWYTZJUEI-UHFFFAOYSA-N
Compound name
1-cyclopropyl-3-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

24
References

569
Patents

377.18518 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.19246 201.7
[M+Na]+ 400.17440 215.1
[M-H]- 376.17790 207.0
[M+NH4]+ 395.21900 207.5
[M+K]+ 416.14834 204.8
[M+H-H2O]+ 360.18244 191.7
[M+HCOO]- 422.18338 219.7
[M+CH3COO]- 436.19903 210.5
[M+Na-2H]- 398.15985 201.9
[M]+ 377.18463 209.7
[M]- 377.18573 209.7
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