CID 3051892

4-((4-chlorophenyl)phenylmethyl)-n-(3,4,5-trimethoxyphenyl)-1-piperazinecarboxamide

Structural Information

Molecular Formula
C27H30ClN3O4
SMILES
COC1=CC(=CC(=C1OC)OC)NC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C27H30ClN3O4/c1-33-23-17-22(18-24(34-2)26(23)35-3)29-27(32)31-15-13-30(14-16-31)25(19-7-5-4-6-8-19)20-9-11-21(28)12-10-20/h4-12,17-18,25H,13-16H2,1-3H3,(H,29,32)
InChIKey
RECBKSSAPPAEKS-UHFFFAOYSA-N
Compound name
4-[(4-chlorophenyl)-phenylmethyl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

495.19247 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.19975 220.9
[M+Na]+ 518.18169 235.6
[M+NH4]+ 513.22629 226.8
[M+K]+ 534.15563 227.2
[M-H]- 494.18519 228.0
[M+Na-2H]- 516.16714 229.8
[M]+ 495.19192 225.3
[M]- 495.19302 225.3
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.