CID 3803820

750599-00-9

Structural Information

Molecular Formula
C16H14N2O3
SMILES
C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3N2CC(=O)O
InChI
InChI=1S/C16H14N2O3/c19-16(20)10-18-14-9-5-4-8-13(14)17-15(18)11-21-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,20)
InChIKey
JHCQBJMAELFRHV-UHFFFAOYSA-N
Compound name
2-[2-(phenoxymethyl)benzimidazol-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.10043 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.10771 163.5
[M+Na]+ 305.08965 177.9
[M+NH4]+ 300.13425 170.7
[M+K]+ 321.06359 172.8
[M-H]- 281.09315 166.0
[M+Na-2H]- 303.07510 171.3
[M]+ 282.09988 166.2
[M]- 282.10098 166.2
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.