CID 382799

Nsc670524

Structural Information

Molecular Formula
C13H10N2O5S
SMILES
COC1=CC2=C(C3=C1C(=O)C(=CN3)C(=O)O)NC(=O)CS2
InChI
InChI=1S/C13H10N2O5S/c1-20-6-2-7-10(15-8(16)4-21-7)11-9(6)12(17)5(3-14-11)13(18)19/h2-3H,4H2,1H3,(H,14,17)(H,15,16)(H,18,19)
InChIKey
GMSSRDCSBDMFJY-UHFFFAOYSA-N
Compound name
6-methoxy-2,7-dioxo-1,10-dihydropyrido[2,3-f][1,4]benzothiazine-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.03104 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.03832 162.3
[M+Na]+ 329.02026 171.5
[M-H]- 305.02376 161.3
[M+NH4]+ 324.06486 175.1
[M+K]+ 344.99420 165.9
[M+H-H2O]+ 289.02830 156.0
[M+HCOO]- 351.02924 170.4
[M+CH3COO]- 365.04489 197.0
[M+Na-2H]- 327.00571 165.4
[M]+ 306.03049 163.0
[M]- 306.03159 163.0
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.