CID 37300

Indole, 1-acetyl-3-(2-amino-1-benzylthioethyl)-, hydrochloride

Structural Information

Molecular Formula
C19H20N2OS
SMILES
CC(=O)N1C=C(C2=CC=CC=C21)C(CN)SCC3=CC=CC=C3
InChI
InChI=1S/C19H20N2OS/c1-14(22)21-12-17(16-9-5-6-10-18(16)21)19(11-20)23-13-15-7-3-2-4-8-15/h2-10,12,19H,11,13,20H2,1H3
InChIKey
VHNXNUDEWCGLBP-UHFFFAOYSA-N
Compound name
1-[3-(2-amino-1-benzylsulfanylethyl)indol-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.12964 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.13692 175.5
[M+Na]+ 347.11886 188.6
[M+NH4]+ 342.16346 184.1
[M+K]+ 363.09280 180.5
[M-H]- 323.12236 180.3
[M+Na-2H]- 345.10431 182.9
[M]+ 324.12909 179.2
[M]- 324.13019 179.2
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.