CID 460656

Chembl303620

Structural Information

Molecular Formula
C26H34N2O8
SMILES
CCC1CN(CCN1C(=O)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C26H34N2O8/c1-8-18-15-27(25(29)16-11-19(31-2)23(35-6)20(12-16)32-3)9-10-28(18)26(30)17-13-21(33-4)24(36-7)22(14-17)34-5/h11-14,18H,8-10,15H2,1-7H3
InChIKey
QZMJEOQZFQZTCS-UHFFFAOYSA-N
Compound name
[3-ethyl-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

0
Patents

502.2315 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.23878 219.3
[M+Na]+ 525.22072 224.3
[M-H]- 501.22422 226.1
[M+NH4]+ 520.26532 223.1
[M+K]+ 541.19466 223.6
[M+H-H2O]+ 485.22876 207.4
[M+HCOO]- 547.22970 233.3
[M+CH3COO]- 561.24535 245.8
[M+Na-2H]- 523.20617 213.8
[M]+ 502.23095 228.2
[M]- 502.23205 228.2
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.