CID 391922

Nsc691602

Structural Information

Molecular Formula
C15H21N3O2
SMILES
CC1=C(C(=C(C(=C1C)C)CN2C(=O)N(C(=O)N2)C)C)C
InChI
InChI=1S/C15H21N3O2/c1-8-9(2)11(4)13(12(5)10(8)3)7-18-15(20)17(6)14(19)16-18/h7H2,1-6H3,(H,16,19)
InChIKey
IZSANDTYHJLTGD-UHFFFAOYSA-N
Compound name
4-methyl-1-[(2,3,4,5,6-pentamethylphenyl)methyl]-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.1634 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.170676 163.5
[M+Na]+ 298.152618 177.0
[M-H]- 274.156124 167.2
[M+NH4]+ 293.197223 178.6
[M+K]+ 314.126558 171.5
[M+H-H2O]+ 258.160660 156.1
[M+HCOO]- 320.161601 183.4
[M+CH3COO]- 334.177251 202.9
[M+Na-2H]- 296.138066 162.1
[M]+ 275.16285142 168.1
[M]- 275.16394858 168.1
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.