CID 460553

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

Structural Information

Molecular Formula
C25H32N2O8
SMILES
CC1CN(CCN1C(=O)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C25H32N2O8/c1-15-14-26(24(28)16-10-18(30-2)22(34-6)19(11-16)31-3)8-9-27(15)25(29)17-12-20(32-4)23(35-7)21(13-17)33-5/h10-13,15H,8-9,14H2,1-7H3
InChIKey
JXSAGUFWXLQFKX-UHFFFAOYSA-N
Compound name
[3-methyl-4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

488.21585 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.22313 214.9
[M+Na]+ 511.20507 220.4
[M-H]- 487.20857 221.9
[M+NH4]+ 506.24967 219.4
[M+K]+ 527.17901 219.9
[M+H-H2O]+ 471.21311 203.2
[M+HCOO]- 533.21405 229.3
[M+CH3COO]- 547.22970 243.0
[M+Na-2H]- 509.19052 209.9
[M]+ 488.21530 223.5
[M]- 488.21640 223.5
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