CID 5469827

Nsc693121

Structural Information

Molecular Formula
C18H16N2O2
SMILES
CN1C(=O)CC(=O)N1/C(=C/C2=CC=CC=C2)/C3=CC=CC=C3
InChI
InChI=1S/C18H16N2O2/c1-19-17(21)13-18(22)20(19)16(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-12H,13H2,1H3/b16-12+
InChIKey
JKSWGDKENWSXIF-FOWTUZBSSA-N
Compound name
1-[(E)-1,2-diphenylethenyl]-2-methylpyrazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.1212 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.12848 168.5
[M+Na]+ 315.11042 175.8
[M-H]- 291.11392 175.6
[M+NH4]+ 310.15502 182.5
[M+K]+ 331.08436 170.4
[M+H-H2O]+ 275.11846 158.9
[M+HCOO]- 337.11940 188.1
[M+CH3COO]- 351.13505 201.1
[M+Na-2H]- 313.09587 168.7
[M]+ 292.12065 166.5
[M]- 292.12175 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.