CID 280476

64891-99-2

Structural Information

Molecular Formula
C14H17N3O2
SMILES
CC(=C)C(C)(C)N1C(=O)N(C(=O)N1)C2=CC=CC=C2
InChI
InChI=1S/C14H17N3O2/c1-10(2)14(3,4)17-13(19)16(12(18)15-17)11-8-6-5-7-9-11/h5-9H,1H2,2-4H3,(H,15,18)
InChIKey
ZKLIVMVXJROSHY-UHFFFAOYSA-N
Compound name
1-(2,3-dimethylbut-3-en-2-yl)-4-phenyl-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.13208 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.13936 159.4
[M+Na]+ 282.12130 169.1
[M-H]- 258.12480 161.9
[M+NH4]+ 277.16590 173.6
[M+K]+ 298.09524 164.3
[M+H-H2O]+ 242.12934 151.5
[M+HCOO]- 304.13028 177.4
[M+CH3COO]- 318.14593 194.0
[M+Na-2H]- 280.10675 161.9
[M]+ 259.13153 159.8
[M]- 259.13263 159.8
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.