CID 3054134

Brn 6067594

Structural Information

Molecular Formula
C19H22N2S2
SMILES
CCSC(CN1C=CN=C1)(C2=CC3=CC=CC=C3C=C2)SCC
InChI
InChI=1S/C19H22N2S2/c1-3-22-19(23-4-2,14-21-12-11-20-15-21)18-10-9-16-7-5-6-8-17(16)13-18/h5-13,15H,3-4,14H2,1-2H3
InChIKey
JEVCGCNIWMRUGP-UHFFFAOYSA-N
Compound name
1-[2,2-bis(ethylsulfanyl)-2-naphthalen-2-ylethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

342.12244 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.12972 179.6
[M+Na]+ 365.11166 189.4
[M-H]- 341.11516 184.6
[M+NH4]+ 360.15626 194.7
[M+K]+ 381.08560 182.1
[M+H-H2O]+ 325.11970 172.3
[M+HCOO]- 387.12064 190.5
[M+CH3COO]- 401.13629 190.1
[M+Na-2H]- 363.09711 181.6
[M]+ 342.12189 185.8
[M]- 342.12299 185.8
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