CID 6518112

38063-86-4

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]+ 276.17068 165.8
[M+Na]+ 298.15262 169.4
[M-H]- 274.15612 169.8
[M+NH4]+ 293.19722 178.9
[M+K]+ 314.12656 167.2
[M+H-H2O]+ 258.16066 155.8
[M+HCOO]- 320.16160 184.2
[M+CH3COO]- 334.17725 202.8
[M+Na-2H]- 296.13807 168.3
[M]+ 275.16285 163.5
[M]- 275.16395 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.