CID 6449091

178408-22-5

Structural Information

Molecular Formula
C19H18N2O2
SMILES
CC1=CC=C(C=C1)C(=O)/C=C\2/C(=O)N(CCN2)C3=CC=CC=C3
InChI
InChI=1S/C19H18N2O2/c1-14-7-9-15(10-8-14)18(22)13-17-19(23)21(12-11-20-17)16-5-3-2-4-6-16/h2-10,13,20H,11-12H2,1H3/b17-13-
InChIKey
YMKCZHHGVPUGAT-LGMDPLHJSA-N
Compound name
(3Z)-3-[2-(4-methylphenyl)-2-oxoethylidene]-1-phenylpiperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.13684 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.14412 174.3
[M+Na]+ 329.12606 188.4
[M+NH4]+ 324.17066 181.0
[M+K]+ 345.10000 180.6
[M-H]- 305.12956 178.5
[M+Na-2H]- 327.11151 182.4
[M]+ 306.13629 177.3
[M]- 306.13739 177.3
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.