CID 199943

Bicarbamimide, n-(hydroxymethyl)-2-isopropyl-3-phenyl-

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]+ 250.118616 153.6
[M+Na]+ 272.100558 164.3
[M-H]- 248.104064 156.4
[M+NH4]+ 267.145163 168.4
[M+K]+ 288.074498 160.6
[M+H-H2O]+ 232.108600 145.4
[M+HCOO]- 294.109541 173.9
[M+CH3COO]- 308.125191 191.9
[M+Na-2H]- 270.086006 155.6
[M]+ 249.11079142 156.3
[M]- 249.11188858 156.3
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.