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]+ 246.07608 149.4
[M+Na]+ 268.05802 159.1
[M-H]- 244.06152 153.6
[M+NH4]+ 263.10262 167.6
[M+K]+ 284.03196 156.0
[M+H-H2O]+ 228.06606 143.7
[M+HCOO]- 290.06700 170.9
[M+CH3COO]- 304.08265 195.9
[M+Na-2H]- 266.04347 153.2
[M]+ 245.06825 150.5
[M]- 245.06935 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.