CID 9570430

4'-chloro-2-((4-methyl-1-piperazinyl)imino)acetophenone 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]+ 266.10546 159.4
[M+Na]+ 288.08740 172.4
[M+NH4]+ 283.13200 167.2
[M+K]+ 304.06134 164.8
[M-H]- 264.09090 162.9
[M+Na-2H]- 286.07285 166.7
[M]+ 265.09763 162.3
[M]- 265.09873 162.3
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.