CID 3039936

51379-05-6

Structural Information

Molecular Formula
C22H30N2S2
SMILES
CCC(C)(C)SC(=NC1=CN=CC=C1)SCC2=CC=C(C=C2)C(C)(C)C
InChI
InChI=1S/C22H30N2S2/c1-7-22(5,6)26-20(24-19-9-8-14-23-15-19)25-16-17-10-12-18(13-11-17)21(2,3)4/h8-15H,7,16H2,1-6H3
InChIKey
JYNYZPXEADUWKZ-UHFFFAOYSA-N
Compound name
1-[(4-tert-butylphenyl)methylsulfanyl]-1-(2-methylbutan-2-ylsulfanyl)-N-pyridin-3-ylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.18503 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.19231 194.1
[M+Na]+ 409.17425 199.3
[M-H]- 385.17775 199.4
[M+NH4]+ 404.21885 205.9
[M+K]+ 425.14819 192.6
[M+H-H2O]+ 369.18229 185.3
[M+HCOO]- 431.18323 202.6
[M+CH3COO]- 445.19888 222.8
[M+Na-2H]- 407.15970 194.5
[M]+ 386.18448 198.2
[M]- 386.18558 198.2
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.