CID 3038275

Brn 0810999

Structural Information

Molecular Formula
C16H20N4O
SMILES
CC\1=NN(C(=O)/C1=C/N2CCN(CC2)C)C3=CC=CC=C3
InChI
InChI=1S/C16H20N4O/c1-13-15(12-19-10-8-18(2)9-11-19)16(21)20(17-13)14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3/b15-12+
InChIKey
KUSGVCTXJLNDIY-NTCAYCPXSA-N
Compound name
(4E)-5-methyl-4-[(4-methylpiperazin-1-yl)methylidene]-2-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.1637 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.17098 170.8
[M+Na]+ 307.15292 178.0
[M-H]- 283.15642 174.7
[M+NH4]+ 302.19752 182.6
[M+K]+ 323.12686 172.3
[M+H-H2O]+ 267.16096 159.7
[M+HCOO]- 329.16190 185.9
[M+CH3COO]- 343.17755 180.3
[M+Na-2H]- 305.13837 169.9
[M]+ 284.16315 166.5
[M]- 284.16425 166.5
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.