CID 349457

2-{[(benzyloxy)carbonyl]amino}benzoic acid

Structural Information

Molecular Formula
C15H13NO4
SMILES
C1=CC=C(C=C1)COC(=O)NC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C15H13NO4/c17-14(18)12-8-4-5-9-13(12)16-15(19)20-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,19)(H,17,18)
InChIKey
CTJMTYUXEWDGEW-UHFFFAOYSA-N
Compound name
2-(phenylmethoxycarbonylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

271.08447 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.09175 159.8
[M+Na]+ 294.07369 165.3
[M-H]- 270.07719 165.1
[M+NH4]+ 289.11829 174.4
[M+K]+ 310.04763 162.5
[M+H-H2O]+ 254.08173 151.9
[M+HCOO]- 316.08267 182.6
[M+CH3COO]- 330.09832 195.7
[M+Na-2H]- 292.05914 164.2
[M]+ 271.08392 159.9
[M]- 271.08502 159.9
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

No patent data available for this compound.