CID 2103984

2-(2-chlorobenzamido)-4,5-dimethoxybenzoic acid

Structural Information

Molecular Formula
C16H14ClNO5
SMILES
COC1=C(C=C(C(=C1)C(=O)O)NC(=O)C2=CC=CC=C2Cl)OC
InChI
InChI=1S/C16H14ClNO5/c1-22-13-7-10(16(20)21)12(8-14(13)23-2)18-15(19)9-5-3-4-6-11(9)17/h3-8H,1-2H3,(H,18,19)(H,20,21)
InChIKey
IVKQQBXBFXAHGH-UHFFFAOYSA-N
Compound name
2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.05606 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.06334 171.4
[M+Na]+ 358.04528 179.8
[M-H]- 334.04878 177.6
[M+NH4]+ 353.08988 185.2
[M+K]+ 374.01922 176.1
[M+H-H2O]+ 318.05332 164.7
[M+HCOO]- 380.05426 189.6
[M+CH3COO]- 394.06991 209.1
[M+Na-2H]- 356.03073 173.0
[M]+ 335.05551 177.1
[M]- 335.05661 177.1
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.