CID 371569

Nsc645898

Structural Information

Molecular Formula
C19H15NO6
SMILES
COC1=CC(=C(C=C1)NC(=O)C2=CC(=O)C3=C(C2=O)C=C(C=C3)O)OC
InChI
InChI=1S/C19H15NO6/c1-25-11-4-6-15(17(8-11)26-2)20-19(24)14-9-16(22)12-5-3-10(21)7-13(12)18(14)23/h3-9,21H,1-2H3,(H,20,24)
InChIKey
SQGDKDYXXQKVGU-UHFFFAOYSA-N
Compound name
N-(2,4-dimethoxyphenyl)-7-hydroxy-1,4-dioxonaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.08994 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.09722 177.4
[M+Na]+ 376.07916 185.9
[M-H]- 352.08266 184.5
[M+NH4]+ 371.12376 190.5
[M+K]+ 392.05310 182.9
[M+H-H2O]+ 336.08720 169.0
[M+HCOO]- 398.08814 198.4
[M+CH3COO]- 412.10379 216.1
[M+Na-2H]- 374.06461 180.1
[M]+ 353.08939 181.2
[M]- 353.09049 181.2
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.