CID 483555

3-phenylsulfonyl-5-methylsulfonylaminoindole-2-carboxamide

Structural Information

Molecular Formula
C16H15N3O5S2
SMILES
CS(=O)(=O)NC1=CC2=C(C=C1)NC(=C2S(=O)(=O)C3=CC=CC=C3)C(=O)N
InChI
InChI=1S/C16H15N3O5S2/c1-25(21,22)19-10-7-8-13-12(9-10)15(14(18-13)16(17)20)26(23,24)11-5-3-2-4-6-11/h2-9,18-19H,1H3,(H2,17,20)
InChIKey
VKRRUKWKXMVRHB-UHFFFAOYSA-N
Compound name
3-(benzenesulfonyl)-5-(methanesulfonamido)-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

393.04532 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.05260 188.6
[M+Na]+ 416.03454 197.3
[M-H]- 392.03804 193.4
[M+NH4]+ 411.07914 200.1
[M+K]+ 432.00848 190.8
[M+H-H2O]+ 376.04258 182.4
[M+HCOO]- 438.04352 199.8
[M+CH3COO]- 452.05917 215.4
[M+Na-2H]- 414.01999 193.6
[M]+ 393.04477 191.9
[M]- 393.04587 191.9
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.