CID 3039810

51308-53-3

Structural Information

Molecular Formula
C19H24N2S2
SMILES
CCSC(=NC1=CN=CC=C1)SCC2=CC=C(C=C2)C(C)(C)C
InChI
InChI=1S/C19H24N2S2/c1-5-22-18(21-17-7-6-12-20-13-17)23-14-15-8-10-16(11-9-15)19(2,3)4/h6-13H,5,14H2,1-4H3
InChIKey
JHRSAHDEEPJCFC-UHFFFAOYSA-N
Compound name
1-[(4-tert-butylphenyl)methylsulfanyl]-1-ethylsulfanyl-N-pyridin-3-ylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.1381 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.14538 181.3
[M+Na]+ 367.12732 193.8
[M+NH4]+ 362.17192 190.1
[M+K]+ 383.10126 181.6
[M-H]- 343.13082 186.4
[M+Na-2H]- 365.11277 189.3
[M]+ 344.13755 185.7
[M]- 344.13865 185.7
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.