CID 58467982

1373116-06-3

Structural Information

Molecular Formula
C15H16N6O2
SMILES
C1CN(CCC1N2C3=C(NC2=O)N=CC=C3)C(=O)N4C=CN=C4
InChI
InChI=1S/C15H16N6O2/c22-14-18-13-12(2-1-5-17-13)21(14)11-3-7-19(8-4-11)15(23)20-9-6-16-10-20/h1-2,5-6,9-11H,3-4,7-8H2,(H,17,18,22)
InChIKey
VBWXKTTVXAQTDR-UHFFFAOYSA-N
Compound name
1-[1-(imidazole-1-carbonyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

312.13348 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.14076 172.1
[M+Na]+ 335.12270 181.0
[M-H]- 311.12620 174.7
[M+NH4]+ 330.16730 181.8
[M+K]+ 351.09664 175.0
[M+H-H2O]+ 295.13074 160.8
[M+HCOO]- 357.13168 186.0
[M+CH3COO]- 371.14733 181.2
[M+Na-2H]- 333.10815 172.5
[M]+ 312.13293 169.6
[M]- 312.13403 169.6
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