CID 2732180

4-cyclohexylphenylthiourea

Structural Information

Molecular Formula
C13H18N2S
SMILES
C1CCC(CC1)C2=CC=C(C=C2)NC(=S)N
InChI
InChI=1S/C13H18N2S/c14-13(16)15-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5H2,(H3,14,15,16)
InChIKey
NUOXMWHYKUBMNI-UHFFFAOYSA-N
Compound name
(4-cyclohexylphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

38
Patents

234.11906 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.126336 152.0
[M+Na]+ 257.108278 155.6
[M-H]- 233.111784 157.1
[M+NH4]+ 252.152883 169.1
[M+K]+ 273.082218 151.0
[M+H-H2O]+ 217.116320 144.8
[M+HCOO]- 279.117261 167.8
[M+CH3COO]- 293.132911 193.4
[M+Na-2H]- 255.093726 152.9
[M]+ 234.11851142 145.4
[M]- 234.11960858 145.4
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