CID 392576

Nsc693123

Structural Information

Molecular Formula
C19H18N2O2
SMILES
CC(=C(C1=CC=CC=C1)C2=CC=CC=C2)N3C(=O)CC(=O)N3C
InChI
InChI=1S/C19H18N2O2/c1-14(21-18(23)13-17(22)20(21)2)19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,13H2,1-2H3
InChIKey
YKCOENYICWBBCF-UHFFFAOYSA-N
Compound name
1-(1,1-diphenylprop-1-en-2-yl)-2-methylpyrazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.13684 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.14412 172.6
[M+Na]+ 329.12606 179.1
[M-H]- 305.12956 179.6
[M+NH4]+ 324.17066 185.9
[M+K]+ 345.10000 174.0
[M+H-H2O]+ 289.13410 163.0
[M+HCOO]- 351.13504 190.9
[M+CH3COO]- 365.15069 205.0
[M+Na-2H]- 327.11151 171.2
[M]+ 306.13629 170.3
[M]- 306.13739 170.3
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.