CID 3039281

Cyclohexyl 4-(1,1-(dimethylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate

Structural Information

Molecular Formula
C23H30N2S2
SMILES
CC(C)(C)C1=CC=C(C=C1)CSC(=NC2=CN=CC=C2)SC3CCCCC3
InChI
InChI=1S/C23H30N2S2/c1-23(2,3)19-13-11-18(12-14-19)17-26-22(25-20-8-7-15-24-16-20)27-21-9-5-4-6-10-21/h7-8,11-16,21H,4-6,9-10,17H2,1-3H3
InChIKey
VMFNOGUKCOPHRG-UHFFFAOYSA-N
Compound name
1-[(4-tert-butylphenyl)methylsulfanyl]-1-cyclohexylsulfanyl-N-pyridin-3-ylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.18503 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.19231 194.3
[M+Na]+ 421.17425 197.3
[M-H]- 397.17775 201.4
[M+NH4]+ 416.21885 204.9
[M+K]+ 437.14819 190.1
[M+H-H2O]+ 381.18229 184.7
[M+HCOO]- 443.18323 201.6
[M+CH3COO]- 457.19888 222.1
[M+Na-2H]- 419.15970 193.5
[M]+ 398.18448 192.7
[M]- 398.18558 192.7
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.