CID 65605

Tribuzone

Structural Information

Molecular Formula
C22H24N2O3
SMILES
CC(C)(C)C(=O)CCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H24N2O3/c1-22(2,3)19(25)15-14-18-20(26)23(16-10-6-4-7-11-16)24(21(18)27)17-12-8-5-9-13-17/h4-13,18H,14-15H2,1-3H3
InChIKey
OFVFGKQCUDMLLP-UHFFFAOYSA-N
Compound name
4-(4,4-dimethyl-3-oxopentyl)-1,2-diphenylpyrazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

1976
Patents

364.17868 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.18596 188.9
[M+Na]+ 387.16790 195.4
[M-H]- 363.17140 196.1
[M+NH4]+ 382.21250 200.2
[M+K]+ 403.14184 190.5
[M+H-H2O]+ 347.17594 179.5
[M+HCOO]- 409.17688 205.7
[M+CH3COO]- 423.19253 216.7
[M+Na-2H]- 385.15335 187.6
[M]+ 364.17813 189.6
[M]- 364.17923 189.6
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.