CID 983552

301306-49-0

Structural Information

Molecular Formula
C21H25NO6
SMILES
CC(C)COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C21H25NO6/c1-13(2)12-28-21(24)14-6-8-16(9-7-14)22-20(23)15-10-17(25-3)19(27-5)18(11-15)26-4/h6-11,13H,12H2,1-5H3,(H,22,23)
InChIKey
CVZFGUFGHBUTRH-UHFFFAOYSA-N
Compound name
2-methylpropyl 4-[(3,4,5-trimethoxybenzoyl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

387.16818 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.17546 191.3
[M+Na]+ 410.15740 196.6
[M-H]- 386.16090 198.0
[M+NH4]+ 405.20200 202.4
[M+K]+ 426.13134 195.8
[M+H-H2O]+ 370.16544 182.2
[M+HCOO]- 432.16638 212.8
[M+CH3COO]- 446.18203 225.0
[M+Na-2H]- 408.14285 190.0
[M]+ 387.16763 198.9
[M]- 387.16873 198.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.