CID 40978

Benzoic acid, 4-(3,4,5-trimethoxybenzamido)-

Structural Information

Molecular Formula
C17H17NO6
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C17H17NO6/c1-22-13-8-11(9-14(23-2)15(13)24-3)16(19)18-12-6-4-10(5-7-12)17(20)21/h4-9H,1-3H3,(H,18,19)(H,20,21)
InChIKey
CSHJCFPMERZZTN-UHFFFAOYSA-N
Compound name
4-[(3,4,5-trimethoxybenzoyl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

331.1056 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.11288 175.0
[M+Na]+ 354.09482 186.4
[M+NH4]+ 349.13942 179.9
[M+K]+ 370.06876 182.2
[M-H]- 330.09832 176.9
[M+Na-2H]- 352.08027 180.4
[M]+ 331.10505 176.8
[M]- 331.10615 176.8
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

patents stripe