CID 213503

Da-237

Structural Information

Molecular Formula
C19H18N2O2
SMILES
CCC(=C1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)C
InChI
InChI=1S/C19H18N2O2/c1-3-14(2)17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13H,3H2,1-2H3
InChIKey
DNDYNVXYUBUZFM-UHFFFAOYSA-N
Compound name
4-butan-2-ylidene-1,2-diphenylpyrazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

306.13684 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.14412 172.8
[M+Na]+ 329.12606 180.6
[M-H]- 305.12956 180.1
[M+NH4]+ 324.17066 186.5
[M+K]+ 345.10000 174.9
[M+H-H2O]+ 289.13410 163.3
[M+HCOO]- 351.13504 192.1
[M+CH3COO]- 365.15069 205.3
[M+Na-2H]- 327.11151 171.8
[M]+ 306.13629 171.5
[M]- 306.13739 171.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.