CID 5318041

80140-31-4

Structural Information

Molecular Formula
C19H18O8
SMILES
COC1=C(C(=C(C2=C1C(=O)C=C(O2)C3=CC(=C(C=C3)O)O)OC)OC)OC
InChI
InChI=1S/C19H18O8/c1-23-15-14-12(22)8-13(9-5-6-10(20)11(21)7-9)27-16(14)18(25-3)19(26-4)17(15)24-2/h5-8,20-21H,1-4H3
InChIKey
ZDLYNMZEAFURQY-UHFFFAOYSA-N
Compound name
2-(3,4-dihydroxyphenyl)-5,6,7,8-tetramethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

81
Patents

374.10016 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.107436 182.4
[M+Na]+ 397.089378 193.4
[M-H]- 373.092884 190.0
[M+NH4]+ 392.133983 193.7
[M+K]+ 413.063318 192.9
[M+H-H2O]+ 357.097420 173.9
[M+HCOO]- 419.098361 202.1
[M+CH3COO]- 433.114011 217.1
[M+Na-2H]- 395.074826 185.7
[M]+ 374.09961142 193.0
[M]- 374.10070858 193.0
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

patents stripe