CID 6449093

3-(2-(2,3-dimethylphenyl)-2-oxoethylidene)-1-phenylpiperazinone

Structural Information

Molecular Formula
C20H20N2O2
SMILES
CC1=C(C(=CC=C1)C(=O)/C=C\2/C(=O)N(CCN2)C3=CC=CC=C3)C
InChI
InChI=1S/C20H20N2O2/c1-14-7-6-10-17(15(14)2)19(23)13-18-20(24)22(12-11-21-18)16-8-4-3-5-9-16/h3-10,13,21H,11-12H2,1-2H3/b18-13-
InChIKey
ZLTXXRUBVFNENU-AQTBWJFISA-N
Compound name
(3Z)-3-[2-(2,3-dimethylphenyl)-2-oxoethylidene]-1-phenylpiperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.15247 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.15975 178.1
[M+Na]+ 343.14169 184.1
[M-H]- 319.14519 183.2
[M+NH4]+ 338.18629 188.4
[M+K]+ 359.11563 177.3
[M+H-H2O]+ 303.14973 167.8
[M+HCOO]- 365.15067 193.1
[M+CH3COO]- 379.16632 206.6
[M+Na-2H]- 341.12714 177.9
[M]+ 320.15192 173.0
[M]- 320.15302 173.0
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.