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

49
Patents

238.0776 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.084876 150.9
[M+Na]+ 261.066818 160.7
[M-H]- 237.070324 153.5
[M+NH4]+ 256.111423 170.1
[M+K]+ 277.040758 155.8
[M+H-H2O]+ 221.074860 145.2
[M+HCOO]- 283.075801 169.2
[M+CH3COO]- 297.091451 187.2
[M+Na-2H]- 259.052266 156.8
[M]+ 238.07705142 154.2
[M]- 238.07814858 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