CID 120984

1,4-bis(3,4,5-trimethoxybenzoyl)piperazine

Structural Information

Molecular Formula
C24H30N2O8
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C24H30N2O8/c1-29-17-11-15(12-18(30-2)21(17)33-5)23(27)25-7-9-26(10-8-25)24(28)16-13-19(31-3)22(34-6)20(14-16)32-4/h11-14H,7-10H2,1-6H3
InChIKey
RSMOCRIXTHPCBX-UHFFFAOYSA-N
Compound name
[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

474.20023 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.207506 210.7
[M+Na]+ 497.189448 215.7
[M-H]- 473.192954 217.5
[M+NH4]+ 492.234053 215.4
[M+K]+ 513.163388 215.3
[M+H-H2O]+ 457.197490 198.9
[M+HCOO]- 519.198431 225.4
[M+CH3COO]- 533.214081 238.7
[M+Na-2H]- 495.174896 206.9
[M]+ 474.19968142 218.5
[M]- 474.20077858 218.5
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

patents stripe