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 154.9
[M+Na]+ 304.00558 168.5
[M-H]- 280.00908 161.0
[M+NH4]+ 299.05018 174.9
[M+K]+ 319.97952 156.5
[M+H-H2O]+ 264.01362 154.1
[M+HCOO]- 326.01456 173.2
[M+CH3COO]- 340.03021 169.2
[M+Na-2H]- 301.99103 159.2
[M]+ 281.01581 172.4
[M]- 281.01691 172.4
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.