CID 9570696

Benzaldehyde, p-chloro-, o-(2-(4-phenethyl-1-piperazinyl)ethyl)oxime, dihydrochloride, (e)-

Structural Information

Molecular Formula
C21H26ClN3O
SMILES
C1CN(CCN1CCC2=CC=CC=C2)CCO/N=C/C3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H26ClN3O/c22-21-8-6-20(7-9-21)18-23-26-17-16-25-14-12-24(13-15-25)11-10-19-4-2-1-3-5-19/h1-9,18H,10-17H2/b23-18+
InChIKey
NIVKIHJHTTWKOA-PTGBLXJZSA-N
Compound name
(E)-1-(4-chlorophenyl)-N-[2-[4-(2-phenylethyl)piperazin-1-yl]ethoxy]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.17645 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.183726 191.0
[M+Na]+ 394.165668 195.0
[M-H]- 370.169174 196.9
[M+NH4]+ 389.210273 200.7
[M+K]+ 410.139608 188.0
[M+H-H2O]+ 354.173710 178.8
[M+HCOO]- 416.174651 205.3
[M+CH3COO]- 430.190301 218.9
[M+Na-2H]- 392.151116 193.5
[M]+ 371.17590142 191.0
[M]- 371.17699858 191.0
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.