CID 71299221

6-bromo-1-cyclopentyl-1h,2h,3h-imidazo[4,5-b]pyridin-2-one

Structural Information

Molecular Formula
C11H12BrN3O
SMILES
C1CCC(C1)N2C3=C(NC2=O)N=CC(=C3)Br
InChI
InChI=1S/C11H12BrN3O/c12-7-5-9-10(13-6-7)14-11(16)15(9)8-3-1-2-4-8/h5-6,8H,1-4H2,(H,13,14,16)
InChIKey
ZVWUCCKPQWUUHF-UHFFFAOYSA-N
Compound name
6-bromo-1-cyclopentyl-3H-imidazo[4,5-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.01636 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.02364 162.5
[M+Na]+ 304.00558 165.6
[M+NH4]+ 299.05018 166.5
[M+K]+ 319.97952 168.1
[M-H]- 280.00908 162.4
[M+Na-2H]- 301.99103 164.2
[M]+ 281.01581 161.5
[M]- 281.01691 161.5
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.