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 171.3
[M+Na]+ 337.08038 182.0
[M-H]- 313.08388 176.6
[M+NH4]+ 332.12498 187.5
[M+K]+ 353.05432 175.2
[M+H-H2O]+ 297.08842 164.4
[M+HCOO]- 359.08936 182.8
[M+CH3COO]- 373.10501 182.7
[M+Na-2H]- 335.06583 174.2
[M]+ 314.09061 176.9
[M]- 314.09171 176.9
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