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 173.2
[M+Na]+ 354.09482 180.0
[M-H]- 330.09832 179.2
[M+NH4]+ 349.13942 185.9
[M+K]+ 370.06876 178.6
[M+H-H2O]+ 314.10286 164.9
[M+HCOO]- 376.10380 195.6
[M+CH3COO]- 390.11945 210.7
[M+Na-2H]- 352.08027 174.7
[M]+ 331.10505 178.2
[M]- 331.10615 178.2
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