CID 9570696

Trans-o-(2-(4-phenethyl-1-piperazinyl)ethyl) 4-chlorobenzaldoxime dihydrochloride

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]+ 372.18373 191.0
[M+Na]+ 394.16567 195.0
[M-H]- 370.16917 196.9
[M+NH4]+ 389.21027 200.7
[M+K]+ 410.13961 188.0
[M+H-H2O]+ 354.17371 178.8
[M+HCOO]- 416.17465 205.3
[M+CH3COO]- 430.19030 218.9
[M+Na-2H]- 392.15112 193.5
[M]+ 371.17590 191.0
[M]- 371.17700 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.