CID 2682955

Dimethyl 5-((3,4,5-trimethoxybenzoyl)amino)isophthalate

Structural Information

Molecular Formula
C20H21NO8
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC
InChI
InChI=1S/C20H21NO8/c1-25-15-9-11(10-16(26-2)17(15)27-3)18(22)21-14-7-12(19(23)28-4)6-13(8-14)20(24)29-5/h6-10H,1-5H3,(H,21,22)
InChIKey
JWDUDATWSPJWLD-UHFFFAOYSA-N
Compound name
dimethyl 5-[(3,4,5-trimethoxybenzoyl)amino]benzene-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.1267 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.13398 189.5
[M+Na]+ 426.11592 195.9
[M-H]- 402.11942 196.8
[M+NH4]+ 421.16052 200.0
[M+K]+ 442.08986 196.5
[M+H-H2O]+ 386.12396 180.4
[M+HCOO]- 448.12490 211.8
[M+CH3COO]- 462.14055 226.6
[M+Na-2H]- 424.10137 188.5
[M]+ 403.12615 199.2
[M]- 403.12725 199.2
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

No patent data available for this compound.