CID 3039828

Methyl (4-(1-methylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate

Structural Information

Molecular Formula
C17H20N2S2
SMILES
CC(C)C1=CC=C(C=C1)CSC(=NC2=CN=CC=C2)SC
InChI
InChI=1S/C17H20N2S2/c1-13(2)15-8-6-14(7-9-15)12-21-17(20-3)19-16-5-4-10-18-11-16/h4-11,13H,12H2,1-3H3
InChIKey
VZQDAYZPSVCNHM-UHFFFAOYSA-N
Compound name
1-methylsulfanyl-1-[(4-propan-2-ylphenyl)methylsulfanyl]-N-pyridin-3-ylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.10678 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.11406 171.0
[M+Na]+ 339.09600 177.4
[M-H]- 315.09950 176.9
[M+NH4]+ 334.14060 185.4
[M+K]+ 355.06994 171.2
[M+H-H2O]+ 299.10404 162.5
[M+HCOO]- 361.10498 183.0
[M+CH3COO]- 375.12063 209.0
[M+Na-2H]- 337.08145 170.9
[M]+ 316.10623 174.0
[M]- 316.10733 174.0
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.