CID 3054127

1h-imidazole, 1-(2,2-bis(methylthio)-2-(2-naphthalenyl)ethyl)-, monohydrochloride

Structural Information

Molecular Formula
C17H18N2S2
SMILES
CSC(CN1C=CN=C1)(C2=CC3=CC=CC=C3C=C2)SC
InChI
InChI=1S/C17H18N2S2/c1-20-17(21-2,12-19-10-9-18-13-19)16-8-7-14-5-3-4-6-15(14)11-16/h3-11,13H,12H2,1-2H3
InChIKey
JYFKZKNXEKFISW-UHFFFAOYSA-N
Compound name
1-[2,2-bis(methylsulfanyl)-2-naphthalen-2-ylethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

314.09116 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.09844 170.0
[M+Na]+ 337.08038 184.7
[M+NH4]+ 332.12498 179.8
[M+K]+ 353.05432 173.7
[M-H]- 313.08388 174.6
[M+Na-2H]- 335.06583 178.4
[M]+ 314.09061 174.7
[M]- 314.09171 174.7
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

patents stripe