CID 49768285

2-[(3-hydroxy-4-methoxycarbonyl-phenyl)carbamoyl]benzoic acid

Structural Information

Molecular Formula
C16H13NO6
SMILES
COC(=O)C1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2C(=O)O)O
InChI
InChI=1S/C16H13NO6/c1-23-16(22)12-7-6-9(8-13(12)18)17-14(19)10-4-2-3-5-11(10)15(20)21/h2-8,18H,1H3,(H,17,19)(H,20,21)
InChIKey
PEJBAANFGZSVSE-UHFFFAOYSA-N
Compound name
2-[(3-hydroxy-4-methoxycarbonylphenyl)carbamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.07428 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.08156 168.2
[M+Na]+ 338.06350 174.2
[M-H]- 314.06700 172.7
[M+NH4]+ 333.10810 180.4
[M+K]+ 354.03744 172.1
[M+H-H2O]+ 298.07154 160.4
[M+HCOO]- 360.07248 188.6
[M+CH3COO]- 374.08813 203.8
[M+Na-2H]- 336.04895 169.2
[M]+ 315.07373 169.1
[M]- 315.07483 169.1
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.