CID 3062787

Brn 5548785

Structural Information

Molecular Formula
C16H23NS2
SMILES
CCCCSCCN1C=C(C2=CC=CC=C21)SCC
InChI
InChI=1S/C16H23NS2/c1-3-5-11-18-12-10-17-13-16(19-4-2)14-8-6-7-9-15(14)17/h6-9,13H,3-5,10-12H2,1-2H3
InChIKey
DVSWGZIXJKKOAG-UHFFFAOYSA-N
Compound name
1-(2-butylsulfanylethyl)-3-ethylsulfanylindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1272 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.13448 165.1
[M+Na]+ 316.11642 174.8
[M-H]- 292.11992 168.3
[M+NH4]+ 311.16102 184.0
[M+K]+ 332.09036 168.5
[M+H-H2O]+ 276.12446 158.9
[M+HCOO]- 338.12540 177.7
[M+CH3COO]- 352.14105 202.6
[M+Na-2H]- 314.10187 164.7
[M]+ 293.12665 173.2
[M]- 293.12775 173.2
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.