CID 5465334

Nsc646363

Structural Information

Molecular Formula
C17H10ClN3O8S2
SMILES
C1=CC2=C(C=C1O)OC(=CC2=O)C(=O)C3=NS(=O)(=O)C4=CC(=C(C=C4N3)Cl)S(=O)(=O)N
InChI
InChI=1S/C17H10ClN3O8S2/c18-9-4-10-15(6-14(9)30(19,25)26)31(27,28)21-17(20-10)16(24)13-5-11(23)8-2-1-7(22)3-12(8)29-13/h1-6,22H,(H,20,21)(H2,19,25,26)
InChIKey
CLWGBCZPYDLUOV-UHFFFAOYSA-N
Compound name
6-chloro-3-(7-hydroxy-4-oxochromene-2-carbonyl)-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.95978 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.96706 196.3
[M+Na]+ 505.94900 207.1
[M-H]- 481.95250 200.1
[M+NH4]+ 500.99360 203.0
[M+K]+ 521.92294 202.2
[M+H-H2O]+ 465.95704 190.8
[M+HCOO]- 527.95798 196.8
[M+CH3COO]- 541.97363 228.5
[M+Na-2H]- 503.93445 204.4
[M]+ 482.95923 203.8
[M]- 482.96033 203.8
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.