CID 3039276

42754-18-7

Structural Information

Molecular Formula
C24H32N2OS
SMILES
CC1CCC(CC1)C2=C(C=CC=N2)NC(=O)SCC3=CC=C(C=C3)C(C)(C)C
InChI
InChI=1S/C24H32N2OS/c1-17-7-11-19(12-8-17)22-21(6-5-15-25-22)26-23(27)28-16-18-9-13-20(14-10-18)24(2,3)4/h5-6,9-10,13-15,17,19H,7-8,11-12,16H2,1-4H3,(H,26,27)
InChIKey
WORWJYQEGIMXLU-UHFFFAOYSA-N
Compound name
S-[(4-tert-butylphenyl)methyl] N-[2-(4-methylcyclohexyl)pyridin-3-yl]carbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.22354 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.23082 198.6
[M+Na]+ 419.21276 210.7
[M+NH4]+ 414.25736 206.5
[M+K]+ 435.18670 200.6
[M-H]- 395.21626 204.8
[M+Na-2H]- 417.19821 206.6
[M]+ 396.22299 202.7
[M]- 396.22409 202.7
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

No patent data available for this compound.