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 187.9
[M+Na]+ 393.14297 196.7
[M-H]- 369.14647 192.4
[M+NH4]+ 388.18757 201.8
[M+K]+ 409.11691 189.0
[M+H-H2O]+ 353.15101 180.1
[M+HCOO]- 415.15195 198.0
[M+CH3COO]- 429.16760 197.5
[M+Na-2H]- 391.12842 189.0
[M]+ 370.15320 194.6
[M]- 370.15430 194.6
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