CID 5277340

[1-(4-phenoxyphenyl)cyclohexyl]thiourea

Structural Information

Molecular Formula
C19H22N2OS
SMILES
C1CCC(CC1)(C2=CC=C(C=C2)OC3=CC=CC=C3)NC(=S)N
InChI
InChI=1S/C19H22N2OS/c20-18(23)21-19(13-5-2-6-14-19)15-9-11-17(12-10-15)22-16-7-3-1-4-8-16/h1,3-4,7-12H,2,5-6,13-14H2,(H3,20,21,23)
InChIKey
SUWUUNGXVXLQSK-UHFFFAOYSA-N
Compound name
[1-(4-phenoxyphenyl)cyclohexyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

326.1453 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.15258 175.5
[M+Na]+ 349.13452 178.8
[M-H]- 325.13802 183.2
[M+NH4]+ 344.17912 190.2
[M+K]+ 365.10846 173.1
[M+H-H2O]+ 309.14256 166.9
[M+HCOO]- 371.14350 191.1
[M+CH3COO]- 385.15915 184.5
[M+Na-2H]- 347.11997 177.7
[M]+ 326.14475 170.3
[M]- 326.14585 170.3
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

No patent data available for this compound.