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 195.8
[M+Na]+ 450.01888 205.6
[M-H]- 426.02238 206.5
[M+NH4]+ 445.06348 205.5
[M+K]+ 465.99282 200.3
[M+H-H2O]+ 410.02692 188.3
[M+HCOO]- 472.02786 210.7
[M+CH3COO]- 486.04351 205.9
[M+Na-2H]- 448.00433 202.3
[M]+ 427.02911 202.1
[M]- 427.03021 202.1
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.