CID 5277325

[4-(4-propylcyclohexyl)phenyl]thiourea

Structural Information

Molecular Formula
C16H24N2S
SMILES
CCCC1CCC(CC1)C2=CC=C(C=C2)NC(=S)N
InChI
InChI=1S/C16H24N2S/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)18-16(17)19/h8-13H,2-7H2,1H3,(H3,17,18,19)
InChIKey
AEDYWOOWEQKUJD-UHFFFAOYSA-N
Compound name
[4-(4-propylcyclohexyl)phenyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

276.16602 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.17330 165.2
[M+Na]+ 299.15524 168.3
[M-H]- 275.15874 170.0
[M+NH4]+ 294.19984 180.8
[M+K]+ 315.12918 162.9
[M+H-H2O]+ 259.16328 157.5
[M+HCOO]- 321.16422 179.8
[M+CH3COO]- 335.17987 203.6
[M+Na-2H]- 297.14069 163.9
[M]+ 276.16547 159.9
[M]- 276.16657 159.9
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