CID 215087

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

Structural Information

Molecular Formula
C15H19N3O3
SMILES
C1CCC(CC1)N2C(=O)N(C(=O)N2C3=CC=CC=C3)CO
InChI
InChI=1S/C15H19N3O3/c19-11-16-14(20)17(12-7-3-1-4-8-12)18(15(16)21)13-9-5-2-6-10-13/h1,3-4,7-8,13,19H,2,5-6,9-11H2
InChIKey
NHOIDYQBPLGEJQ-UHFFFAOYSA-N
Compound name
1-cyclohexyl-4-(hydroxymethyl)-2-phenyl-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.14264 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.149916 166.2
[M+Na]+ 312.131858 174.0
[M-H]- 288.135364 170.9
[M+NH4]+ 307.176463 178.5
[M+K]+ 328.105798 169.0
[M+H-H2O]+ 272.139900 156.3
[M+HCOO]- 334.140841 183.4
[M+CH3COO]- 348.156491 197.1
[M+Na-2H]- 310.117306 166.9
[M]+ 289.14209142 163.6
[M]- 289.14318858 163.6
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.