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]+ 232.108046 150.0
[M+Na]+ 254.089988 160.2
[M-H]- 230.093494 152.3
[M+NH4]+ 249.134593 165.2
[M+K]+ 270.063928 155.3
[M+H-H2O]+ 214.098030 141.7
[M+HCOO]- 276.098971 170.3
[M+CH3COO]- 290.114621 187.7
[M+Na-2H]- 252.075436 152.6
[M]+ 231.10022142 150.1
[M]- 231.10131858 150.1
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.