CID 3046600

62467-78-1

Structural Information

Molecular Formula
C16H14N2O2
SMILES
CC(C1=CC2=C(C=C1)N=C(N2)C3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C16H14N2O2/c1-10(16(19)20)12-7-8-13-14(9-12)18-15(17-13)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)(H,19,20)
InChIKey
WGGXSKAZWUWVIB-UHFFFAOYSA-N
Compound name
2-(2-phenyl-3H-benzimidazol-5-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.10553 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11281 160.1
[M+Na]+ 289.09475 168.6
[M-H]- 265.09825 163.2
[M+NH4]+ 284.13935 175.1
[M+K]+ 305.06869 163.0
[M+H-H2O]+ 249.10279 152.1
[M+HCOO]- 311.10373 178.7
[M+CH3COO]- 325.11938 171.3
[M+Na-2H]- 287.08020 163.8
[M]+ 266.10498 159.9
[M]- 266.10608 159.9
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.