CID 9570423

2-((4-methyl-1-piperazinyl)imino)acetophenone 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]+ 232.14444 153.6
[M+Na]+ 254.12638 158.4
[M-H]- 230.12988 157.9
[M+NH4]+ 249.17098 168.6
[M+K]+ 270.10032 155.6
[M+H-H2O]+ 214.13442 144.0
[M+HCOO]- 276.13536 173.5
[M+CH3COO]- 290.15101 194.5
[M+Na-2H]- 252.11183 158.3
[M]+ 231.13661 149.9
[M]- 231.13771 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.