CID 5277323

[4-(4-hexylcyclohexyl)phenyl]thiourea

Structural Information

Molecular Formula
C19H30N2S
SMILES
CCCCCCC1CCC(CC1)C2=CC=C(C=C2)NC(=S)N
InChI
InChI=1S/C19H30N2S/c1-2-3-4-5-6-15-7-9-16(10-8-15)17-11-13-18(14-12-17)21-19(20)22/h11-16H,2-10H2,1H3,(H3,20,21,22)
InChIKey
WLMUGDWAMLADNA-UHFFFAOYSA-N
Compound name
[4-(4-hexylcyclohexyl)phenyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

318.21298 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.22026 177.8
[M+Na]+ 341.20220 179.6
[M-H]- 317.20570 182.0
[M+NH4]+ 336.24680 191.7
[M+K]+ 357.17614 173.6
[M+H-H2O]+ 301.21024 169.6
[M+HCOO]- 363.21118 191.5
[M+CH3COO]- 377.22683 212.6
[M+Na-2H]- 339.18765 175.1
[M]+ 318.21243 173.6
[M]- 318.21353 173.6
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