CID 41332

55142-77-3

Structural Information

Molecular Formula
C20H19N3O2S
SMILES
CSC(CNC(=O)C1=CNC2=CC=CC=C21)(C3=CNC4=CC=CC=C43)O
InChI
InChI=1S/C20H19N3O2S/c1-26-20(25,16-11-22-18-9-5-3-7-14(16)18)12-23-19(24)15-10-21-17-8-4-2-6-13(15)17/h2-11,21-22,25H,12H2,1H3,(H,23,24)
InChIKey
PJYCVBMPEOJLKW-UHFFFAOYSA-N
Compound name
N-[2-hydroxy-2-(1H-indol-3-yl)-2-methylsulfanylethyl]-1H-indole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.1198 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.12708 183.7
[M+Na]+ 388.10902 195.3
[M+NH4]+ 383.15362 190.7
[M+K]+ 404.08296 190.7
[M-H]- 364.11252 185.9
[M+Na-2H]- 386.09447 189.5
[M]+ 365.11925 186.3
[M]- 365.12035 186.3
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

No patent data available for this compound.