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 181.1
[M+Na]+ 367.12732 187.3
[M-H]- 343.13082 186.8
[M+NH4]+ 362.17192 194.6
[M+K]+ 383.10126 180.7
[M+H-H2O]+ 327.13536 172.4
[M+HCOO]- 389.13630 192.0
[M+CH3COO]- 403.15195 213.7
[M+Na-2H]- 365.11277 181.7
[M]+ 344.13755 184.6
[M]- 344.13865 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.