CID 13475765

2-(1h-indol-5-yl)-n-methylethanesulfonamide

Structural Information

Molecular Formula
C11H14N2O2S
SMILES
CNS(=O)(=O)CCC1=CC2=C(C=C1)NC=C2
InChI
InChI=1S/C11H14N2O2S/c1-12-16(14,15)7-5-9-2-3-11-10(8-9)4-6-13-11/h2-4,6,8,12-13H,5,7H2,1H3
InChIKey
PPXMUBLAPJLGNE-UHFFFAOYSA-N
Compound name
2-(1H-indol-5-yl)-N-methylethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

238.0776 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.08488 150.9
[M+Na]+ 261.06682 160.7
[M-H]- 237.07032 153.5
[M+NH4]+ 256.11142 170.1
[M+K]+ 277.04076 155.8
[M+H-H2O]+ 221.07486 145.2
[M+HCOO]- 283.07580 169.2
[M+CH3COO]- 297.09145 187.2
[M+Na-2H]- 259.05227 156.8
[M]+ 238.07705 154.2
[M]- 238.07815 154.2
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

patents stripe