CID 338565

Nsc361667

Structural Information

Molecular Formula
C17H12Cl2N2O5S
SMILES
CC(=O)NC1=CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC(=C(C=C3)Cl)Cl)OC1=O
InChI
InChI=1S/C17H12Cl2N2O5S/c1-9(22)20-15-7-10-6-11(2-5-16(10)26-17(15)23)21-27(24,25)12-3-4-13(18)14(19)8-12/h2-8,21H,1H3,(H,20,22)
InChIKey
JEDUWQLGKBWCIG-UHFFFAOYSA-N
Compound name
N-[6-[(3,4-dichlorophenyl)sulfonylamino]-2-oxochromen-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.9844 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.99168 190.7
[M+Na]+ 448.97362 201.3
[M-H]- 424.97712 199.7
[M+NH4]+ 444.01822 202.1
[M+K]+ 464.94756 196.4
[M+H-H2O]+ 408.98166 185.0
[M+HCOO]- 470.98260 199.6
[M+CH3COO]- 484.99825 224.8
[M+Na-2H]- 446.95907 195.7
[M]+ 425.98385 200.0
[M]- 425.98495 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.