CID 3001400

Benzenecarbothioamide, n-(4-cyclohexylphenyl)-4-methyl-

Structural Information

Molecular Formula
C20H23NS
SMILES
CC1=CC=C(C=C1)C(=S)NC2=CC=C(C=C2)C3CCCCC3
InChI
InChI=1S/C20H23NS/c1-15-7-9-18(10-8-15)20(22)21-19-13-11-17(12-14-19)16-5-3-2-4-6-16/h7-14,16H,2-6H2,1H3,(H,21,22)
InChIKey
OWNSMFZYFRWLRL-UHFFFAOYSA-N
Compound name
N-(4-cyclohexylphenyl)-4-methylbenzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.15512 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.16240 172.7
[M+Na]+ 332.14434 176.5
[M-H]- 308.14784 181.1
[M+NH4]+ 327.18894 187.1
[M+K]+ 348.11828 170.1
[M+H-H2O]+ 292.15238 164.1
[M+HCOO]- 354.15332 187.3
[M+CH3COO]- 368.16897 182.2
[M+Na-2H]- 330.12979 172.5
[M]+ 309.15457 168.0
[M]- 309.15567 168.0
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.