CID 9570694

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

Structural Information

Molecular Formula
C14H20ClN3O
SMILES
CN1CCN(CC1)CCO/N=C/C2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H20ClN3O/c1-17-6-8-18(9-7-17)10-11-19-16-12-13-2-4-14(15)5-3-13/h2-5,12H,6-11H2,1H3/b16-12+
InChIKey
OELMLXSQQFCSKO-FOWTUZBSSA-N
Compound name
(E)-1-(4-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethoxy]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1295 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.13678 165.9
[M+Na]+ 304.11872 171.8
[M-H]- 280.12222 169.7
[M+NH4]+ 299.16332 180.0
[M+K]+ 320.09266 167.1
[M+H-H2O]+ 264.12676 156.3
[M+HCOO]- 326.12770 181.4
[M+CH3COO]- 340.14335 202.3
[M+Na-2H]- 302.10417 169.7
[M]+ 281.12895 166.1
[M]- 281.13005 166.1
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.