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]+ 388.175456 191.3
[M+Na]+ 410.157398 196.6
[M-H]- 386.160904 198.0
[M+NH4]+ 405.202003 202.4
[M+K]+ 426.131338 195.8
[M+H-H2O]+ 370.165440 182.2
[M+HCOO]- 432.166381 212.8
[M+CH3COO]- 446.182031 225.0
[M+Na-2H]- 408.142846 190.0
[M]+ 387.16763142 198.9
[M]- 387.16872858 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.