CID 6445273

N,n-diphenyl-4'-(3,4,5-trimethoxycinnamoyl)-1-piperazineacetamide hydrochloride

Structural Information

Molecular Formula
C30H33N3O5
SMILES
COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCN(CC2)CC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C30H33N3O5/c1-36-26-20-23(21-27(37-2)30(26)38-3)14-15-28(34)32-18-16-31(17-19-32)22-29(35)33(24-10-6-4-7-11-24)25-12-8-5-9-13-25/h4-15,20-21H,16-19,22H2,1-3H3/b15-14+
InChIKey
IPQJSMAHFVSALH-CCEZHUSRSA-N
Compound name
N,N-diphenyl-2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

515.242 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 516.24928 226.7
[M+Na]+ 538.23122 227.6
[M-H]- 514.23472 236.0
[M+NH4]+ 533.27582 228.5
[M+K]+ 554.20516 223.8
[M+H-H2O]+ 498.23926 212.2
[M+HCOO]- 560.24020 241.6
[M+CH3COO]- 574.25585 248.5
[M+Na-2H]- 536.21667 223.6
[M]+ 515.24145 227.6
[M]- 515.24255 227.6
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.