CID 514116

Chembl16406

Structural Information

Molecular Formula
C19H14N2O5S2
SMILES
C1=CC=C(C=C1)C(=O)C2=C(N(C3=C2C=CC(=C3)NS(=O)(=O)C4=CC=CS4)O)O
InChI
InChI=1S/C19H14N2O5S2/c22-18(12-5-2-1-3-6-12)17-14-9-8-13(11-15(14)21(24)19(17)23)20-28(25,26)16-7-4-10-27-16/h1-11,20,23-24H
InChIKey
UYVIMBKKSYDOGA-UHFFFAOYSA-N
Compound name
N-(3-benzoyl-1,2-dihydroxyindol-6-yl)thiophene-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

414.03442 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.04170 194.1
[M+Na]+ 437.02364 204.1
[M-H]- 413.02714 202.6
[M+NH4]+ 432.06824 207.0
[M+K]+ 452.99758 198.0
[M+H-H2O]+ 397.03168 189.1
[M+HCOO]- 459.03262 206.7
[M+CH3COO]- 473.04827 204.2
[M+Na-2H]- 435.00909 195.6
[M]+ 414.03387 200.0
[M]- 414.03497 200.0
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

No patent data available for this compound.