CID 215085

Ur 75

Structural Information

Molecular Formula
C12H13N3O2
SMILES
CC(=C)CN1C(=O)NC(=O)N1C2=CC=CC=C2
InChI
InChI=1S/C12H13N3O2/c1-9(2)8-14-11(16)13-12(17)15(14)10-6-4-3-5-7-10/h3-7H,1,8H2,2H3,(H,13,16,17)
InChIKey
WDQPIZIBQSFNSR-UHFFFAOYSA-N
Compound name
1-(2-methylprop-2-enyl)-2-phenyl-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.10077 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.10805 151.4
[M+Na]+ 254.08999 164.3
[M+NH4]+ 249.13459 157.0
[M+K]+ 270.06393 160.7
[M-H]- 230.09349 151.7
[M+Na-2H]- 252.07544 157.3
[M]+ 231.10022 153.0
[M]- 231.10132 153.0
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.