CID 1355426

349398-89-6

Structural Information

Molecular Formula
C19H19NO7
SMILES
COC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)OC
InChI
InChI=1S/C19H19NO7/c1-24-15-6-5-11(10-16(15)25-2)17(21)20-14-8-12(18(22)26-3)7-13(9-14)19(23)27-4/h5-10H,1-4H3,(H,20,21)
InChIKey
FWAXLEDHMBAFGM-UHFFFAOYSA-N
Compound name
dimethyl 5-[(3,4-dimethoxybenzoyl)amino]benzene-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.11615 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.12343 183.3
[M+Na]+ 396.10537 189.6
[M-H]- 372.10887 190.4
[M+NH4]+ 391.14997 194.8
[M+K]+ 412.07931 189.4
[M+H-H2O]+ 356.11341 174.4
[M+HCOO]- 418.11435 205.9
[M+CH3COO]- 432.13000 220.0
[M+Na-2H]- 394.09082 183.2
[M]+ 373.11560 190.8
[M]- 373.11670 190.8
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.