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]+ 345.145376 181.1
[M+Na]+ 367.127318 187.3
[M-H]- 343.130824 186.8
[M+NH4]+ 362.171923 194.6
[M+K]+ 383.101258 180.7
[M+H-H2O]+ 327.135360 172.4
[M+HCOO]- 389.136301 192.0
[M+CH3COO]- 403.151951 213.7
[M+Na-2H]- 365.112766 181.7
[M]+ 344.13755142 184.6
[M]- 344.13864858 184.6
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.