CID 3039829

51308-73-7

Structural Information

Molecular Formula
C18H22N2S2
SMILES
CCSC(=NC1=CN=CC=C1)SCC2=CC=C(C=C2)C(C)C
InChI
InChI=1S/C18H22N2S2/c1-4-21-18(20-17-6-5-11-19-12-17)22-13-15-7-9-16(10-8-15)14(2)3/h5-12,14H,4,13H2,1-3H3
InChIKey
IKNAQSSLUOYXFB-UHFFFAOYSA-N
Compound name
1-ethylsulfanyl-1-[(4-propan-2-ylphenyl)methylsulfanyl]-N-pyridin-3-ylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.12244 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.12972 175.2
[M+Na]+ 353.11166 181.1
[M-H]- 329.11516 180.9
[M+NH4]+ 348.15626 189.0
[M+K]+ 369.08560 174.7
[M+H-H2O]+ 313.11970 166.4
[M+HCOO]- 375.12064 186.8
[M+CH3COO]- 389.13629 211.8
[M+Na-2H]- 351.09711 174.7
[M]+ 330.12189 178.5
[M]- 330.12299 178.5
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.