CID 24835732

Bicarbamimide, 2-(alpha-methylphenethyl)-3-phenyl-

Structural Information

Molecular Formula
C17H17N3O2
SMILES
CC(CC1=CC=CC=C1)N2C(=O)NC(=O)N2C3=CC=CC=C3
InChI
InChI=1S/C17H17N3O2/c1-13(12-14-8-4-2-5-9-14)19-16(21)18-17(22)20(19)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H,18,21,22)
InChIKey
OHLPPWFWSWOEBZ-UHFFFAOYSA-N
Compound name
1-phenyl-2-(1-phenylpropan-2-yl)-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

295.13208 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.139356 167.9
[M+Na]+ 318.121298 176.7
[M-H]- 294.124804 173.1
[M+NH4]+ 313.165903 179.8
[M+K]+ 334.095238 170.5
[M+H-H2O]+ 278.129340 157.7
[M+HCOO]- 340.130281 187.5
[M+CH3COO]- 354.145931 178.7
[M+Na-2H]- 316.106746 170.1
[M]+ 295.13153142 167.7
[M]- 295.13262858 167.7
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

patents stripe