CID 274199

Nsc120048

Structural Information

Molecular Formula
C24H16O8
SMILES
CCOC(=O)C(C1=C(C2=CC=CC=C2C(=O)C1=O)O)C3=C(C4=CC=CC=C4C(=O)C3=O)O
InChI
InChI=1S/C24H16O8/c1-2-32-24(31)15(16-18(25)11-7-3-5-9-13(11)20(27)22(16)29)17-19(26)12-8-4-6-10-14(12)21(28)23(17)30/h3-10,15,25-26H,2H2,1H3
InChIKey
NVZVGIJZVANIOC-UHFFFAOYSA-N
Compound name
ethyl 2,2-bis(1-hydroxy-3,4-dioxonaphthalen-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

432.0845 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.09178 194.6
[M+Na]+ 455.07372 202.5
[M-H]- 431.07722 200.9
[M+NH4]+ 450.11832 204.4
[M+K]+ 471.04766 199.2
[M+H-H2O]+ 415.08176 185.9
[M+HCOO]- 477.08270 208.7
[M+CH3COO]- 491.09835 229.4
[M+Na-2H]- 453.05917 194.1
[M]+ 432.08395 197.8
[M]- 432.08505 197.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.