CID 3039811

51308-55-5

Structural Information

Molecular Formula
C21H28N2S2
SMILES
CC(C)CSC(=NC1=CN=CC=C1)SCC2=CC=C(C=C2)C(C)(C)C
InChI
InChI=1S/C21H28N2S2/c1-16(2)14-24-20(23-19-7-6-12-22-13-19)25-15-17-8-10-18(11-9-17)21(3,4)5/h6-13,16H,14-15H2,1-5H3
InChIKey
WANJBBNHYRAZSO-UHFFFAOYSA-N
Compound name
1-[(4-tert-butylphenyl)methylsulfanyl]-1-(2-methylpropylsulfanyl)-N-pyridin-3-ylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.1694 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.17668 189.0
[M+Na]+ 395.15862 193.9
[M-H]- 371.16212 194.3
[M+NH4]+ 390.20322 201.2
[M+K]+ 411.13256 187.4
[M+H-H2O]+ 355.16666 180.1
[M+HCOO]- 417.16760 198.2
[M+CH3COO]- 431.18325 220.2
[M+Na-2H]- 393.14407 188.0
[M]+ 372.16885 192.7
[M]- 372.16995 192.7
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.