CID 19307

Bicarbamimide, n-cyclohexyl-2-phenyl-

Structural Information

Molecular Formula
C14H17N3O2
SMILES
C1CCC(CC1)N2C(=O)NC(=O)N2C3=CC=CC=C3
InChI
InChI=1S/C14H17N3O2/c18-13-15-14(19)17(12-9-5-2-6-10-12)16(13)11-7-3-1-4-8-11/h1,3-4,7-8,12H,2,5-6,9-10H2,(H,15,18,19)
InChIKey
BQRGAIBZOJHBDC-UHFFFAOYSA-N
Compound name
1-cyclohexyl-2-phenyl-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

259.13208 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.139356 158.8
[M+Na]+ 282.121298 166.3
[M-H]- 258.124804 163.2
[M+NH4]+ 277.165903 172.2
[M+K]+ 298.095238 160.9
[M+H-H2O]+ 242.129340 149.0
[M+HCOO]- 304.130281 176.2
[M+CH3COO]- 318.145931 169.4
[M+Na-2H]- 280.106746 160.6
[M]+ 259.13153142 154.1
[M]- 259.13262858 154.1
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

patents stripe