CID 24691110

3-(2-carbamoylphenoxymethyl)benzoic acid

Structural Information

Molecular Formula
C15H13NO4
SMILES
C1=CC=C(C(=C1)C(=O)N)OCC2=CC(=CC=C2)C(=O)O
InChI
InChI=1S/C15H13NO4/c16-14(17)12-6-1-2-7-13(12)20-9-10-4-3-5-11(8-10)15(18)19/h1-8H,9H2,(H2,16,17)(H,18,19)
InChIKey
QAGZWYKACUOXOW-UHFFFAOYSA-N
Compound name
3-[(2-carbamoylphenoxy)methyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

271.08447 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.09175 160.7
[M+Na]+ 294.07369 172.6
[M+NH4]+ 289.11829 167.1
[M+K]+ 310.04763 167.5
[M-H]- 270.07719 163.5
[M+Na-2H]- 292.05914 167.6
[M]+ 271.08392 162.9
[M]- 271.08502 162.9
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

patents stripe