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
1
Annotation Hits

8
References

1746
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

literature stripe

Patent stripe

patents stripe