CID 214142

Brn 1189339

Structural Information

Molecular Formula
C19H12ClN3O5S2
SMILES
C1=CC(=CC=C1NC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)NC4=NC=CS4
InChI
InChI=1S/C19H12ClN3O5S2/c20-11-1-6-16-14(9-11)15(24)10-17(28-16)18(25)22-12-2-4-13(5-3-12)30(26,27)23-19-21-7-8-29-19/h1-10H,(H,21,23)(H,22,25)
InChIKey
GKZSJLBKTFAGSS-UHFFFAOYSA-N
Compound name
6-chloro-4-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]chromene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.9907 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.99798 200.5
[M+Na]+ 483.97992 214.5
[M+NH4]+ 479.02452 206.8
[M+K]+ 499.95386 206.3
[M-H]- 459.98342 206.9
[M+Na-2H]- 481.96537 208.8
[M]+ 460.99015 205.5
[M]- 460.99125 205.5
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.