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

0
Patents

298.11398 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.12126 167.0
[M+Na]+ 321.10320 175.7
[M-H]- 297.10670 172.6
[M+NH4]+ 316.14780 183.5
[M+K]+ 337.07714 169.0
[M+H-H2O]+ 281.11124 159.7
[M+HCOO]- 343.11218 185.1
[M+CH3COO]- 357.12783 178.4
[M+Na-2H]- 319.08865 169.9
[M]+ 298.11343 169.6
[M]- 298.11453 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

No patent data available for this compound.