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 156.2
[M+Na]+ 271.10531 166.6
[M-H]- 247.10881 156.7
[M+NH4]+ 266.14991 173.1
[M+K]+ 287.07925 162.5
[M+H-H2O]+ 231.11335 150.3
[M+HCOO]- 293.11429 174.2
[M+CH3COO]- 307.12994 189.4
[M+Na-2H]- 269.09076 160.6
[M]+ 248.11554 158.7
[M]- 248.11664 158.7
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.