CID 49768286

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

Structural Information

Molecular Formula
C17H15NO6
SMILES
CCOC(=O)C1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2C(=O)O)O
InChI
InChI=1S/C17H15NO6/c1-2-24-17(23)13-8-7-10(9-14(13)19)18-15(20)11-5-3-4-6-12(11)16(21)22/h3-9,19H,2H2,1H3,(H,18,20)(H,21,22)
InChIKey
QKTCSYMAUXLFNM-UHFFFAOYSA-N
Compound name
2-[(4-ethoxycarbonyl-3-hydroxyphenyl)carbamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.08994 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.09722 172.7
[M+Na]+ 352.07916 178.3
[M-H]- 328.08266 177.1
[M+NH4]+ 347.12376 184.4
[M+K]+ 368.05310 176.0
[M+H-H2O]+ 312.08720 164.8
[M+HCOO]- 374.08814 192.8
[M+CH3COO]- 388.10379 206.8
[M+Na-2H]- 350.06461 173.2
[M]+ 329.08939 174.1
[M]- 329.09049 174.1
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.