CID 4336931

N-[2-(1h-indol-3-yl)ethyl]-4-methylbenzenesulfinamide

Structural Information

Molecular Formula
C17H18N2OS
SMILES
CC1=CC=C(C=C1)S(=O)NCCC2=CNC3=CC=CC=C32
InChI
InChI=1S/C17H18N2OS/c1-13-6-8-15(9-7-13)21(20)19-11-10-14-12-18-17-5-3-2-4-16(14)17/h2-9,12,18-19H,10-11H2,1H3
InChIKey
GDHYCLNHSKWYMD-UHFFFAOYSA-N
Compound name
N-[2-(1H-indol-3-yl)ethyl]-4-methylbenzenesulfinamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

298.11398 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.121256 167.0
[M+Na]+ 321.103198 175.7
[M-H]- 297.106704 172.6
[M+NH4]+ 316.147803 183.5
[M+K]+ 337.077138 169.0
[M+H-H2O]+ 281.111240 159.7
[M+HCOO]- 343.112181 185.1
[M+CH3COO]- 357.127831 178.4
[M+Na-2H]- 319.088646 169.9
[M]+ 298.11343142 169.6
[M]- 298.11452858 169.6
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