CID 766306

1-cyclohexyl-3-phenyl-2-thiourea

Structural Information

Molecular Formula
C13H18N2S
SMILES
C1CCC(CC1)NC(=S)NC2=CC=CC=C2
InChI
InChI=1S/C13H18N2S/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2,(H2,14,15,16)
InChIKey
PASBFQMDQRGJBH-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

85
Patents

234.11906 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.126336 151.6
[M+Na]+ 257.108278 154.4
[M-H]- 233.111784 156.9
[M+NH4]+ 252.152883 168.7
[M+K]+ 273.082218 150.1
[M+H-H2O]+ 217.116320 144.1
[M+HCOO]- 279.117261 168.0
[M+CH3COO]- 293.132911 192.2
[M+Na-2H]- 255.093726 154.2
[M]+ 234.11851142 145.5
[M]- 234.11960858 145.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe