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]+ 272.091746 159.8
[M+Na]+ 294.073688 166.1
[M-H]- 270.077194 164.9
[M+NH4]+ 289.118293 174.3
[M+K]+ 310.047628 163.0
[M+H-H2O]+ 254.081730 152.1
[M+HCOO]- 316.082671 181.9
[M+CH3COO]- 330.098321 197.7
[M+Na-2H]- 292.059136 162.4
[M]+ 271.08392142 159.5
[M]- 271.08501858 159.5
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