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 191.7
[M+Na]+ 394.16567 206.4
[M+NH4]+ 389.21027 199.8
[M+K]+ 410.13961 195.6
[M-H]- 370.16917 198.2
[M+Na-2H]- 392.15112 201.3
[M]+ 371.17590 196.0
[M]- 371.17700 196.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.