CID 391916

Nsc691596

Structural Information

Molecular Formula
C12H15N3O2
SMILES
CC1=CC(=C(C(=C1)C)N2C(=O)N(C(=O)N2)C)C
InChI
InChI=1S/C12H15N3O2/c1-7-5-8(2)10(9(3)6-7)15-12(17)14(4)11(16)13-15/h5-6H,1-4H3,(H,13,16)
InChIKey
WMJTVRLIDQVBTG-UHFFFAOYSA-N
Compound name
4-methyl-1-(2,4,6-trimethylphenyl)-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.11642 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.123696 150.6
[M+Na]+ 256.105638 163.7
[M-H]- 232.109144 154.0
[M+NH4]+ 251.150243 166.9
[M+K]+ 272.079578 158.9
[M+H-H2O]+ 216.113680 143.1
[M+HCOO]- 278.114621 171.7
[M+CH3COO]- 292.130271 191.3
[M+Na-2H]- 254.091086 152.2
[M]+ 233.11587142 153.4
[M]- 233.11696858 153.4
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.