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 162.7
[M+Na]+ 305.08965 171.7
[M-H]- 281.09315 167.0
[M+NH4]+ 300.13425 177.7
[M+K]+ 321.06359 167.1
[M+H-H2O]+ 265.09769 153.9
[M+HCOO]- 327.09863 184.0
[M+CH3COO]- 341.11428 174.5
[M+Na-2H]- 303.07510 168.0
[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.