CID 3075906

129230-03-1

Structural Information

Molecular Formula
C32H36ClN3O10
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(C(C2)COC(=O)NC3=CC=CC=C3Cl)C(=O)C4=CC(=C(C(=C4)OC)OC)OC
InChI
InChI=1S/C32H36ClN3O10/c1-40-24-13-19(14-25(41-2)28(24)44-5)30(37)35-11-12-36(31(38)20-15-26(42-3)29(45-6)27(16-20)43-4)21(17-35)18-46-32(39)34-23-10-8-7-9-22(23)33/h7-10,13-16,21H,11-12,17-18H2,1-6H3,(H,34,39)
InChIKey
WZODACLMDWREJD-UHFFFAOYSA-N
Compound name
[1,4-bis(3,4,5-trimethoxybenzoyl)piperazin-2-yl]methyl N-(2-chlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

657.2089 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 658.21618 251.4
[M+Na]+ 680.19812 262.9
[M+NH4]+ 675.24272 252.2
[M+K]+ 696.17206 258.7
[M-H]- 656.20162 255.2
[M+Na-2H]- 678.18357 255.6
[M]+ 657.20835 254.0
[M]- 657.20945 254.0
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.