CID 199943

Ur 93

Structural Information

Molecular Formula
C12H15N3O3
SMILES
CC(C)N1C(=O)N(C(=O)N1C2=CC=CC=C2)CO
InChI
InChI=1S/C12H15N3O3/c1-9(2)14-11(17)13(8-16)12(18)15(14)10-6-4-3-5-7-10/h3-7,9,16H,8H2,1-2H3
InChIKey
OPXZNLYIUMSHTF-UHFFFAOYSA-N
Compound name
4-(hydroxymethyl)-1-phenyl-2-propan-2-yl-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.11134 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.11862 155.4
[M+Na]+ 272.10056 168.1
[M+NH4]+ 267.14516 160.7
[M+K]+ 288.07450 165.4
[M-H]- 248.10406 155.5
[M+Na-2H]- 270.08601 160.7
[M]+ 249.11079 156.9
[M]- 249.11189 156.9
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.