CID 3087374

Da-239

Structural Information

Molecular Formula
C25H20N2O3
SMILES
C=CCC1=C(C(=CC=C1)C=C2C(=O)N(N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)O
InChI
InChI=1S/C25H20N2O3/c1-2-10-18-11-9-12-19(23(18)28)17-22-24(29)26(20-13-5-3-6-14-20)27(25(22)30)21-15-7-4-8-16-21/h2-9,11-17,28H,1,10H2
InChIKey
YBPUDATUTTXPLP-UHFFFAOYSA-N
Compound name
4-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]-1,2-diphenylpyrazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

396.1474 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.154676 197.6
[M+Na]+ 419.136618 205.5
[M-H]- 395.140124 206.8
[M+NH4]+ 414.181223 206.5
[M+K]+ 435.110558 196.9
[M+H-H2O]+ 379.144660 186.5
[M+HCOO]- 441.145601 215.6
[M+CH3COO]- 455.161251 206.6
[M+Na-2H]- 417.122066 194.8
[M]+ 396.14685142 195.8
[M]- 396.14794858 195.8
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

patents stripe