CID 43566613

1-(2,5-dimethylphenyl)-1h-1,3-benzodiazole-5-carboxylic acid

Structural Information

Molecular Formula
C16H14N2O2
SMILES
CC1=CC(=C(C=C1)C)N2C=NC3=C2C=CC(=C3)C(=O)O
InChI
InChI=1S/C16H14N2O2/c1-10-3-4-11(2)15(7-10)18-9-17-13-8-12(16(19)20)5-6-14(13)18/h3-9H,1-2H3,(H,19,20)
InChIKey
RDIBFASVCUAPMF-UHFFFAOYSA-N
Compound name
1-(2,5-dimethylphenyl)benzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.10553 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11281 160.3
[M+Na]+ 289.09475 176.0
[M+NH4]+ 284.13935 168.1
[M+K]+ 305.06869 170.7
[M-H]- 265.09825 163.5
[M+Na-2H]- 287.08020 168.1
[M]+ 266.10498 163.5
[M]- 266.10608 163.5
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.