CID 16227682

929974-73-2

Structural Information

Molecular Formula
C17H14N2O2
SMILES
C1C(C1(C2=NC3=CC=CC=C3N2)C(=O)O)C4=CC=CC=C4
InChI
InChI=1S/C17H14N2O2/c20-16(21)17(10-12(17)11-6-2-1-3-7-11)15-18-13-8-4-5-9-14(13)19-15/h1-9,12H,10H2,(H,18,19)(H,20,21)
InChIKey
YCEPLRVNXFMJJG-UHFFFAOYSA-N
Compound name
1-(1H-benzimidazol-2-yl)-2-phenylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.10553 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.11281 164.1
[M+Na]+ 301.09475 175.3
[M-H]- 277.09825 170.9
[M+NH4]+ 296.13935 175.9
[M+K]+ 317.06869 168.7
[M+H-H2O]+ 261.10279 156.7
[M+HCOO]- 323.10373 183.8
[M+CH3COO]- 337.11938 175.4
[M+Na-2H]- 299.08020 169.5
[M]+ 278.10498 166.3
[M]- 278.10608 166.3
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.