CID 377214

Nsc658450

Structural Information

Molecular Formula
C13H11NO4
SMILES
CC1=CC2=C(C(=C1)O)C(=O)C(=CC2=O)NC(=O)C
InChI
InChI=1S/C13H11NO4/c1-6-3-8-10(16)5-9(14-7(2)15)13(18)12(8)11(17)4-6/h3-5,17H,1-2H3,(H,14,15)
InChIKey
WBQCMONPSIPXGD-UHFFFAOYSA-N
Compound name
N-(8-hydroxy-6-methyl-1,4-dioxonaphthalen-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.0688 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.076076 149.4
[M+Na]+ 268.058018 159.1
[M-H]- 244.061524 153.6
[M+NH4]+ 263.102623 167.6
[M+K]+ 284.031958 156.0
[M+H-H2O]+ 228.066060 143.7
[M+HCOO]- 290.067001 170.9
[M+CH3COO]- 304.082651 195.9
[M+Na-2H]- 266.043466 153.2
[M]+ 245.06825142 150.5
[M]- 245.06934858 150.5
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.