CID 3070174

85930-05-8

Structural Information

Molecular Formula
C13H16N4O3
SMILES
CC(=O)N1C2=C(C=CC=N2)N(C1=O)CN3CCOCC3
InChI
InChI=1S/C13H16N4O3/c1-10(18)17-12-11(3-2-4-14-12)16(13(17)19)9-15-5-7-20-8-6-15/h2-4H,5-9H2,1H3
InChIKey
CDPPXTFDOFWANA-UHFFFAOYSA-N
Compound name
3-acetyl-1-(morpholin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.12225 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.129526 162.3
[M+Na]+ 299.111468 171.6
[M-H]- 275.114974 165.5
[M+NH4]+ 294.156073 174.3
[M+K]+ 315.085408 168.8
[M+H-H2O]+ 259.119510 152.4
[M+HCOO]- 321.120451 178.2
[M+CH3COO]- 335.136101 173.3
[M+Na-2H]- 297.096916 165.9
[M]+ 276.12170142 163.6
[M]- 276.12279858 163.6
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

No patent data available for this compound.