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]+ 272.091746 159.8
[M+Na]+ 294.073688 165.3
[M-H]- 270.077194 165.1
[M+NH4]+ 289.118293 174.4
[M+K]+ 310.047628 162.5
[M+H-H2O]+ 254.081730 151.9
[M+HCOO]- 316.082671 182.6
[M+CH3COO]- 330.098321 195.7
[M+Na-2H]- 292.059136 164.2
[M]+ 271.08392142 159.9
[M]- 271.08501858 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

literature stripe

Patent stripe

patents stripe