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

19
Patents

331.1056 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.112876 173.2
[M+Na]+ 354.094818 180.0
[M-H]- 330.098324 179.2
[M+NH4]+ 349.139423 185.9
[M+K]+ 370.068758 178.6
[M+H-H2O]+ 314.102860 164.9
[M+HCOO]- 376.103801 195.6
[M+CH3COO]- 390.119451 210.7
[M+Na-2H]- 352.080266 174.7
[M]+ 331.10505142 178.2
[M]- 331.10614858 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