CID 5277308

[4-(cyclohexylmethoxy)phenyl]thiourea

Structural Information

Molecular Formula
C14H20N2OS
SMILES
C1CCC(CC1)COC2=CC=C(C=C2)NC(=S)N
InChI
InChI=1S/C14H20N2OS/c15-14(18)16-12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H3,15,16,18)
InChIKey
WSGLBOMOCHYEEB-UHFFFAOYSA-N
Compound name
[4-(cyclohexylmethoxy)phenyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

264.12964 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.13692 159.6
[M+Na]+ 287.11886 162.6
[M-H]- 263.12236 164.4
[M+NH4]+ 282.16346 175.4
[M+K]+ 303.09280 158.2
[M+H-H2O]+ 247.12690 151.9
[M+HCOO]- 309.12784 175.3
[M+CH3COO]- 323.14349 198.5
[M+Na-2H]- 285.10431 160.2
[M]+ 264.12909 154.7
[M]- 264.13019 154.7
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