CID 721478

Methyl 3-[(3,4,5-trimethoxybenzoyl)amino]benzoate

Structural Information

Molecular Formula
C18H19NO6
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=CC(=C2)C(=O)OC
InChI
InChI=1S/C18H19NO6/c1-22-14-9-12(10-15(23-2)16(14)24-3)17(20)19-13-7-5-6-11(8-13)18(21)25-4/h5-10H,1-4H3,(H,19,20)
InChIKey
XIVFYJKKUAPOMV-UHFFFAOYSA-N
Compound name
methyl 3-[(3,4,5-trimethoxybenzoyl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.12125 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.12853 177.7
[M+Na]+ 368.11047 184.6
[M-H]- 344.11397 184.9
[M+NH4]+ 363.15507 190.7
[M+K]+ 384.08441 183.8
[M+H-H2O]+ 328.11851 169.0
[M+HCOO]- 390.11945 201.3
[M+CH3COO]- 404.13510 215.3
[M+Na-2H]- 366.09592 179.1
[M]+ 345.12070 184.8
[M]- 345.12180 184.8
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

No patent data available for this compound.