CID 3062790

Brn 5751029

Structural Information

Molecular Formula
C16H23NS3
SMILES
CCSCCN1C=C(C2=CC=CC=C21)SCCSCC
InChI
InChI=1S/C16H23NS3/c1-3-18-10-9-17-13-16(20-12-11-19-4-2)14-7-5-6-8-15(14)17/h5-8,13H,3-4,9-12H2,1-2H3
InChIKey
JUWJOQQLUQDOJN-UHFFFAOYSA-N
Compound name
1-(2-ethylsulfanylethyl)-3-(2-ethylsulfanylethylsulfanyl)indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.09927 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.10655 168.5
[M+Na]+ 348.08849 178.4
[M-H]- 324.09199 170.9
[M+NH4]+ 343.13309 185.9
[M+K]+ 364.06243 170.4
[M+H-H2O]+ 308.09653 162.8
[M+HCOO]- 370.09747 175.3
[M+CH3COO]- 384.11312 207.5
[M+Na-2H]- 346.07394 167.3
[M]+ 325.09872 175.9
[M]- 325.09982 175.9
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

No patent data available for this compound.