CID 391911

Nsc691592

Structural Information

Molecular Formula
C18H27N3O2
SMILES
CC1=C(C(=C(C(=C1C)C)N2C(=O)N(C(=O)N2C(C)(C)C)C)C)C
InChI
InChI=1S/C18H27N3O2/c1-10-11(2)13(4)15(14(5)12(10)3)20-16(22)19(9)17(23)21(20)18(6,7)8/h1-9H3
InChIKey
MOYFACQLAPYOMZ-UHFFFAOYSA-N
Compound name
1-tert-butyl-4-methyl-2-(2,3,4,5,6-pentamethylphenyl)-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.21033 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.21761 175.3
[M+Na]+ 340.19955 189.2
[M-H]- 316.20305 180.7
[M+NH4]+ 335.24415 189.9
[M+K]+ 356.17349 184.6
[M+H-H2O]+ 300.20759 168.4
[M+HCOO]- 362.20853 194.1
[M+CH3COO]- 376.22418 215.4
[M+Na-2H]- 338.18500 173.4
[M]+ 317.20978 182.6
[M]- 317.21088 182.6
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.