CID 115541351

1548866-71-2

Structural Information

Molecular Formula
C13H16N2O3
SMILES
CC(C)(C)CN1C2=CC=CC(=C2NC1=O)C(=O)O
InChI
InChI=1S/C13H16N2O3/c1-13(2,3)7-15-9-6-4-5-8(11(16)17)10(9)14-12(15)18/h4-6H,7H2,1-3H3,(H,14,18)(H,16,17)
InChIKey
ISILCDNEUIGHIN-UHFFFAOYSA-N
Compound name
1-(2,2-dimethylpropyl)-2-oxo-3H-benzimidazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.11609 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.12337 155.3
[M+Na]+ 271.10531 166.8
[M+NH4]+ 266.14991 160.9
[M+K]+ 287.07925 164.7
[M-H]- 247.10881 153.6
[M+Na-2H]- 269.09076 158.7
[M]+ 248.11554 156.3
[M]- 248.11664 156.3
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.