CID 209323

19730-07-5

Structural Information

Molecular Formula
C19H13N3O5S2
SMILES
C1=CC=C2C(=C1)C(=O)C=C(O2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4
InChI
InChI=1S/C19H13N3O5S2/c23-15-11-17(27-16-4-2-1-3-14(15)16)18(24)21-12-5-7-13(8-6-12)29(25,26)22-19-20-9-10-28-19/h1-11H,(H,20,22)(H,21,24)
InChIKey
IPLGXGNOZCMONH-UHFFFAOYSA-N
Compound name
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

427.02966 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.03694 191.6
[M+Na]+ 450.01888 204.5
[M+NH4]+ 445.06348 197.7
[M+K]+ 465.99282 197.1
[M-H]- 426.02238 197.9
[M+Na-2H]- 448.00433 200.3
[M]+ 427.02911 196.1
[M]- 427.03021 196.1
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.