CID 129858

Rs 84184

Structural Information

Molecular Formula
C21H26N2S2
SMILES
CCCSC(CN1C=CN=C1)(C2=CC3=CC=CC=C3C=C2)SCCC
InChI
InChI=1S/C21H26N2S2/c1-3-13-24-21(25-14-4-2,16-23-12-11-22-17-23)20-10-9-18-7-5-6-8-19(18)15-20/h5-12,15,17H,3-4,13-14,16H2,1-2H3
InChIKey
ULTTXWRPTOQRTN-UHFFFAOYSA-N
Compound name
1-[2-naphthalen-2-yl-2,2-bis(propylsulfanyl)ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

370.15375 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.16103 186.8
[M+Na]+ 393.14297 200.6
[M+NH4]+ 388.18757 196.0
[M+K]+ 409.11691 188.8
[M-H]- 369.14647 191.2
[M+Na-2H]- 391.12842 194.3
[M]+ 370.15320 191.3
[M]- 370.15430 191.3
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