CID 506863

1h-indole-2-carboxamide, 3-(phenylsulfonyl)-

Structural Information

Molecular Formula
C15H12N2O3S
SMILES
C1=CC=C(C=C1)S(=O)(=O)C2=C(NC3=CC=CC=C32)C(=O)N
InChI
InChI=1S/C15H12N2O3S/c16-15(18)13-14(11-8-4-5-9-12(11)17-13)21(19,20)10-6-2-1-3-7-10/h1-9,17H,(H2,16,18)
InChIKey
FZZBOGZHKTXPHC-UHFFFAOYSA-N
Compound name
3-(benzenesulfonyl)-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

15
Patents

300.05685 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.06413 166.4
[M+Na]+ 323.04607 176.4
[M-H]- 299.04957 172.2
[M+NH4]+ 318.09067 182.3
[M+K]+ 339.02001 170.4
[M+H-H2O]+ 283.05411 159.9
[M+HCOO]- 345.05505 183.7
[M+CH3COO]- 359.07070 198.1
[M+Na-2H]- 321.03152 170.5
[M]+ 300.05630 168.3
[M]- 300.05740 168.3
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