CID 3698195

3-(2-hydroxycyclohexyl)-1-phenylthiourea

Structural Information

Molecular Formula
C13H18N2OS
SMILES
C1CCC(C(C1)NC(=S)NC2=CC=CC=C2)O
InChI
InChI=1S/C13H18N2OS/c16-12-9-5-4-8-11(12)15-13(17)14-10-6-2-1-3-7-10/h1-3,6-7,11-12,16H,4-5,8-9H2,(H2,14,15,17)
InChIKey
LRJPRRZKTBEQCA-UHFFFAOYSA-N
Compound name
1-(2-hydroxycyclohexyl)-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

250.11398 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.12126 155.5
[M+Na]+ 273.10320 164.7
[M+NH4]+ 268.14780 164.1
[M+K]+ 289.07714 156.5
[M-H]- 249.10670 160.2
[M+Na-2H]- 271.08865 161.9
[M]+ 250.11343 158.3
[M]- 250.11453 158.3
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

patents stripe