CID 6518112

Acetophenone, o-((4-methyl-1-piperazinyl)carbonylmethyl)oxime

Structural Information

Molecular Formula
C15H21N3O2
SMILES
C/C(=N/OCC(=O)N1CCN(CC1)C)/C2=CC=CC=C2
InChI
InChI=1S/C15H21N3O2/c1-13(14-6-4-3-5-7-14)16-20-12-15(19)18-10-8-17(2)9-11-18/h3-7H,8-12H2,1-2H3/b16-13-
InChIKey
QDULYSITXFAAKJ-SSZFMOIBSA-N
Compound name
1-(4-methylpiperazin-1-yl)-2-[(Z)-1-phenylethylideneamino]oxyethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.1634 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.170676 165.8
[M+Na]+ 298.152618 169.4
[M-H]- 274.156124 169.8
[M+NH4]+ 293.197223 178.9
[M+K]+ 314.126558 167.2
[M+H-H2O]+ 258.160660 155.8
[M+HCOO]- 320.161601 184.2
[M+CH3COO]- 334.177251 202.8
[M+Na-2H]- 296.138066 168.3
[M]+ 275.16285142 163.5
[M]- 275.16394858 163.5
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.