CID 24839165

Brn 5073199

Structural Information

Molecular Formula
C15H14ClN3O
SMILES
CC(C)N1C2=C(N=C(C=C2)Cl)N(C1=O)C3=CC=CC=C3
InChI
InChI=1S/C15H14ClN3O/c1-10(2)18-12-8-9-13(16)17-14(12)19(15(18)20)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKey
MIHSLXSBQFWZOR-UHFFFAOYSA-N
Compound name
5-chloro-3-phenyl-1-propan-2-ylimidazo[4,5-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.08255 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.08983 163.7
[M+Na]+ 310.07177 176.5
[M-H]- 286.07527 168.4
[M+NH4]+ 305.11637 179.5
[M+K]+ 326.04571 169.9
[M+H-H2O]+ 270.07981 154.8
[M+HCOO]- 332.08075 180.2
[M+CH3COO]- 346.09640 176.3
[M+Na-2H]- 308.05722 167.6
[M]+ 287.08200 169.3
[M]- 287.08310 169.3
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.