CID 3036224

Benzopyrazone

Structural Information

Molecular Formula
C24H20N2O3
SMILES
C1=CC=C(C=C1)C(=O)CCC2C(=O)N(N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H20N2O3/c27-22(18-10-4-1-5-11-18)17-16-21-23(28)25(19-12-6-2-7-13-19)26(24(21)29)20-14-8-3-9-15-20/h1-15,21H,16-17H2
InChIKey
PETSKIJKVDPIFF-UHFFFAOYSA-N
Compound name
4-(3-oxo-3-phenylpropyl)-1,2-diphenylpyrazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

39
Patents

384.1474 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.154676 192.9
[M+Na]+ 407.136618 199.1
[M-H]- 383.140124 202.8
[M+NH4]+ 402.181223 202.3
[M+K]+ 423.110558 192.5
[M+H-H2O]+ 367.144660 181.2
[M+HCOO]- 429.145601 211.5
[M+CH3COO]- 443.161251 202.0
[M+Na-2H]- 405.122066 191.4
[M]+ 384.14685142 191.8
[M]- 384.14794858 191.8
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

patents stripe