CID 13984500

1-benzhydryl-4-(2,4-dimethoxycinnamyl)piperazine fumarate

Structural Information

Molecular Formula
C28H32N2O2
SMILES
COC1=CC(=C(C=C1)/C=C/CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)OC
InChI
InChI=1S/C28H32N2O2/c1-31-26-16-15-23(27(22-26)32-2)14-9-17-29-18-20-30(21-19-29)28(24-10-5-3-6-11-24)25-12-7-4-8-13-25/h3-16,22,28H,17-21H2,1-2H3/b14-9+
InChIKey
JHCKDQZMRGDEFN-NTEUORMPSA-N
Compound name
1-benzhydryl-4-[(E)-3-(2,4-dimethoxyphenyl)prop-2-enyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

428.24637 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.25365 209.7
[M+Na]+ 451.23559 211.8
[M-H]- 427.23909 217.3
[M+NH4]+ 446.28019 215.0
[M+K]+ 467.20953 204.8
[M+H-H2O]+ 411.24363 195.8
[M+HCOO]- 473.24457 223.9
[M+CH3COO]- 487.26022 215.7
[M+Na-2H]- 449.22104 208.5
[M]+ 428.24582 206.7
[M]- 428.24692 206.7
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

patents stripe