CID 460131

129230-07-5

Structural Information

Molecular Formula
C32H45N3O10
SMILES
CC(C)CC(C)NC(=O)OCC1CN(CCN1C(=O)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C32H45N3O10/c1-19(2)12-20(3)33-32(38)45-18-23-17-34(30(36)21-13-24(39-4)28(43-8)25(14-21)40-5)10-11-35(23)31(37)22-15-26(41-6)29(44-9)27(16-22)42-7/h13-16,19-20,23H,10-12,17-18H2,1-9H3,(H,33,38)
InChIKey
VJAMGEUEUBUVCW-UHFFFAOYSA-N
Compound name
[1,4-bis(3,4,5-trimethoxybenzoyl)piperazin-2-yl]methyl N-(4-methylpentan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

631.3105 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 632.31778 247.2
[M+Na]+ 654.29972 253.9
[M+NH4]+ 649.34432 246.2
[M+K]+ 670.27366 252.8
[M-H]- 630.30322 247.3
[M+Na-2H]- 652.28517 247.0
[M]+ 631.30995 247.4
[M]- 631.31105 247.4
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.