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]+ 277.12953 162.3
[M+Na]+ 299.11147 171.6
[M-H]- 275.11497 165.5
[M+NH4]+ 294.15607 174.3
[M+K]+ 315.08541 168.8
[M+H-H2O]+ 259.11951 152.4
[M+HCOO]- 321.12045 178.2
[M+CH3COO]- 335.13610 173.3
[M+Na-2H]- 297.09692 165.9
[M]+ 276.12170 163.6
[M]- 276.12280 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.