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]+ 343.129716 179.6
[M+Na]+ 365.111658 189.4
[M-H]- 341.115164 184.6
[M+NH4]+ 360.156263 194.7
[M+K]+ 381.085598 182.1
[M+H-H2O]+ 325.119700 172.3
[M+HCOO]- 387.120641 190.5
[M+CH3COO]- 401.136291 190.1
[M+Na-2H]- 363.097106 181.6
[M]+ 342.12189142 185.8
[M]- 342.12298858 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