CID 6447151

2-(4-(4-methyl-1-piperazinyl)butoxy)stilbene dihydrochloride

Structural Information

Molecular Formula
C23H30N2O
SMILES
CN1CCN(CC1)CCCCOC2=CC=CC=C2/C=C/C3=CC=CC=C3
InChI
InChI=1S/C23H30N2O/c1-24-16-18-25(19-17-24)15-7-8-20-26-23-12-6-5-11-22(23)14-13-21-9-3-2-4-10-21/h2-6,9-14H,7-8,15-20H2,1H3/b14-13+
InChIKey
HAKLQTHHIPSGRP-BUHFOSPRSA-N
Compound name
1-methyl-4-[4-[2-[(E)-2-phenylethenyl]phenoxy]butyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

350.2358 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.24308 189.9
[M+Na]+ 373.22502 192.8
[M-H]- 349.22852 194.6
[M+NH4]+ 368.26962 199.3
[M+K]+ 389.19896 186.1
[M+H-H2O]+ 333.23306 177.8
[M+HCOO]- 395.23400 205.7
[M+CH3COO]- 409.24965 213.9
[M+Na-2H]- 371.21047 190.9
[M]+ 350.23525 187.2
[M]- 350.23635 187.2
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