CID 853894

1-cyclohexyl-3-(4-ethoxyphenyl)-2-thiourea

Structural Information

Molecular Formula
C15H22N2OS
SMILES
CCOC1=CC=C(C=C1)NC(=S)NC2CCCCC2
InChI
InChI=1S/C15H22N2OS/c1-2-18-14-10-8-13(9-11-14)17-15(19)16-12-6-4-3-5-7-12/h8-12H,2-7H2,1H3,(H2,16,17,19)
InChIKey
YVBXZPBYVNCHJU-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-(4-ethoxyphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

278.1453 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.15258 163.9
[M+Na]+ 301.13452 166.5
[M-H]- 277.13802 169.1
[M+NH4]+ 296.17912 179.4
[M+K]+ 317.10846 162.2
[M+H-H2O]+ 261.14256 155.9
[M+HCOO]- 323.14350 179.8
[M+CH3COO]- 337.15915 201.5
[M+Na-2H]- 299.11997 164.9
[M]+ 278.14475 160.2
[M]- 278.14585 160.2
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