CID 506835

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

Structural Information

Molecular Formula
C15H12N2O3S
SMILES
C1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C=C2C(=O)N
InChI
InChI=1S/C15H12N2O3S/c16-15(18)14-10-11-6-4-5-9-13(11)17(14)21(19,20)12-7-2-1-3-8-12/h1-10H,(H2,16,18)
InChIKey
MAGSCLQXYYEPGN-UHFFFAOYSA-N
Compound name
1-(benzenesulfonyl)indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
Patents

300.05685 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.06413 166.8
[M+Na]+ 323.04607 177.2
[M-H]- 299.04957 173.9
[M+NH4]+ 318.09067 183.4
[M+K]+ 339.02001 172.1
[M+H-H2O]+ 283.05411 159.9
[M+HCOO]- 345.05505 185.5
[M+CH3COO]- 359.07070 200.4
[M+Na-2H]- 321.03152 171.1
[M]+ 300.05630 170.4
[M]- 300.05740 170.4
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