CID 364833

2-methyl-1-(phenylsulfonyl)-1h-indole

Structural Information

Molecular Formula
C15H13NO2S
SMILES
CC1=CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C15H13NO2S/c1-12-11-13-7-5-6-10-15(13)16(12)19(17,18)14-8-3-2-4-9-14/h2-11H,1H3
InChIKey
URRIVCFHQGNMOQ-UHFFFAOYSA-N
Compound name
1-(benzenesulfonyl)-2-methylindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

271.0667 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.07398 160.4
[M+Na]+ 294.05592 172.3
[M-H]- 270.05942 168.2
[M+NH4]+ 289.10052 179.3
[M+K]+ 310.02986 167.1
[M+H-H2O]+ 254.06396 153.9
[M+HCOO]- 316.06490 179.6
[M+CH3COO]- 330.08055 174.0
[M+Na-2H]- 292.04137 165.7
[M]+ 271.06615 165.6
[M]- 271.06725 165.6
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.