CID 54690293

2183-16-6

Structural Information

Molecular Formula
C22H16O7
SMILES
CCOC(=O)C(C1=COC2=CC=CC=C2C1=O)C3=C(C4=CC=CC=C4OC3=O)O
InChI
InChI=1S/C22H16O7/c1-2-27-21(25)17(14-11-28-15-9-5-3-7-12(15)19(14)23)18-20(24)13-8-4-6-10-16(13)29-22(18)26/h3-11,17,24H,2H2,1H3
InChIKey
ORNJEIALHPNEKH-UHFFFAOYSA-N
Compound name
ethyl 2-(4-hydroxy-2-oxochromen-3-yl)-2-(4-oxochromen-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.0896 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.09688 188.6
[M+Na]+ 415.07882 198.7
[M-H]- 391.08232 198.4
[M+NH4]+ 410.12342 198.2
[M+K]+ 431.05276 197.7
[M+H-H2O]+ 375.08686 179.0
[M+HCOO]- 437.08780 207.0
[M+CH3COO]- 451.10345 220.1
[M+Na-2H]- 413.06427 194.5
[M]+ 392.08905 197.0
[M]- 392.09015 197.0
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.