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

7
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 155.0
[M+Na]+ 273.10320 158.1
[M-H]- 249.10670 159.2
[M+NH4]+ 268.14780 171.0
[M+K]+ 289.07714 153.4
[M+H-H2O]+ 233.11124 147.9
[M+HCOO]- 295.11218 170.2
[M+CH3COO]- 309.12783 193.0
[M+Na-2H]- 271.08865 156.7
[M]+ 250.11343 148.9
[M]- 250.11453 148.9
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