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 219.5
[M+Na]+ 518.18169 223.1
[M-H]- 494.18519 228.2
[M+NH4]+ 513.22629 223.2
[M+K]+ 534.15563 217.6
[M+H-H2O]+ 478.18973 206.4
[M+HCOO]- 540.19067 230.0
[M+CH3COO]- 554.20632 241.2
[M+Na-2H]- 516.16714 217.3
[M]+ 495.19192 221.5
[M]- 495.19302 221.5
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.