CID 2737722

N-(2-(3-indolyl)ethyl)-p-toluenesulfonamide

Structural Information

Molecular Formula
C17H18N2O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NCCC2=CNC3=CC=CC=C32
InChI
InChI=1S/C17H18N2O2S/c1-13-6-8-15(9-7-13)22(20,21)19-11-10-14-12-18-17-5-3-2-4-16(14)17/h2-9,12,18-19H,10-11H2,1H3
InChIKey
VPIUVBLEDIDJQZ-UHFFFAOYSA-N
Compound name
N-[2-(1H-indol-3-yl)ethyl]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

30
Patents

314.1089 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.11618 171.9
[M+Na]+ 337.09812 181.4
[M-H]- 313.10162 177.7
[M+NH4]+ 332.14272 187.8
[M+K]+ 353.07206 174.7
[M+H-H2O]+ 297.10616 165.0
[M+HCOO]- 359.10710 189.9
[M+CH3COO]- 373.12275 202.3
[M+Na-2H]- 335.08357 176.8
[M]+ 314.10835 175.3
[M]- 314.10945 175.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe