CID 215020

34763-49-0

Structural Information

Molecular Formula
C20H26N2S2
SMILES
CC(C)SC(=NC1=CN=CC=C1)SCC2=CC=C(C=C2)C(C)(C)C
InChI
InChI=1S/C20H26N2S2/c1-15(2)24-19(22-18-7-6-12-21-13-18)23-14-16-8-10-17(11-9-16)20(3,4)5/h6-13,15H,14H2,1-5H3
InChIKey
WRJWIQFJAUWDCV-UHFFFAOYSA-N
Compound name
1-[(4-tert-butylphenyl)methylsulfanyl]-1-propan-2-ylsulfanyl-N-pyridin-3-ylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.15375 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.16103 184.9
[M+Na]+ 381.14297 190.3
[M-H]- 357.14647 190.4
[M+NH4]+ 376.18757 197.7
[M+K]+ 397.11691 184.0
[M+H-H2O]+ 341.15101 176.1
[M+HCOO]- 403.15195 194.4
[M+CH3COO]- 417.16760 217.3
[M+Na-2H]- 379.12842 184.2
[M]+ 358.15320 188.2
[M]- 358.15430 188.2
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.