CID 9570430

Acetophenone, 4'-chloro-2-((4-methyl-1-piperazinyl)imino)-, hydrochloride

Structural Information

Molecular Formula
C13H16ClN3O
SMILES
CN1CCN(CC1)/N=C/C(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H16ClN3O/c1-16-6-8-17(9-7-16)15-10-13(18)11-2-4-12(14)5-3-11/h2-5,10H,6-9H2,1H3/b15-10+
InChIKey
FQTVNHBBBQBRKS-XNTDXEJSSA-N
Compound name
(2E)-1-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)iminoethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.09818 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.105456 160.3
[M+Na]+ 288.087398 166.7
[M-H]- 264.090904 164.5
[M+NH4]+ 283.132003 175.0
[M+K]+ 304.061338 162.2
[M+H-H2O]+ 248.095440 151.3
[M+HCOO]- 310.096381 175.4
[M+CH3COO]- 324.112031 199.4
[M+Na-2H]- 286.072846 163.6
[M]+ 265.09763142 159.0
[M]- 265.09872858 159.0
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.