CID 9570423

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

Structural Information

Molecular Formula
C13H17N3O
SMILES
CN1CCN(CC1)/N=C/C(=O)C2=CC=CC=C2
InChI
InChI=1S/C13H17N3O/c1-15-7-9-16(10-8-15)14-11-13(17)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3/b14-11+
InChIKey
LLDFUKSTGUIXNB-SDNWHVSQSA-N
Compound name
(2E)-2-(4-methylpiperazin-1-yl)imino-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.13716 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.144436 153.6
[M+Na]+ 254.126378 158.4
[M-H]- 230.129884 157.9
[M+NH4]+ 249.170983 168.6
[M+K]+ 270.100318 155.6
[M+H-H2O]+ 214.134420 144.0
[M+HCOO]- 276.135361 173.5
[M+CH3COO]- 290.151011 194.5
[M+Na-2H]- 252.111826 158.3
[M]+ 231.13661142 149.9
[M]- 231.13770858 149.9
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.