CID 19703

3845-20-3

Structural Information

Molecular Formula
C16H12N2O5S
SMILES
C1=CC=C2C(=C1)C(=O)C=C(O2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N
InChI
InChI=1S/C16H12N2O5S/c17-24(21,22)11-7-5-10(6-8-11)18-16(20)15-9-13(19)12-3-1-2-4-14(12)23-15/h1-9H,(H,18,20)(H2,17,21,22)
InChIKey
QHDDRKIOSRWZGG-UHFFFAOYSA-N
Compound name
4-oxo-N-(4-sulfamoylphenyl)chromene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

344.0467 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.053976 174.5
[M+Na]+ 367.035918 183.2
[M-H]- 343.039424 182.9
[M+NH4]+ 362.080523 186.8
[M+K]+ 383.009858 179.8
[M+H-H2O]+ 327.043960 166.6
[M+HCOO]- 389.044901 192.5
[M+CH3COO]- 403.060551 211.4
[M+Na-2H]- 365.021366 181.3
[M]+ 344.04615142 177.8
[M]- 344.04724858 177.8
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.