CID 44257312

Lunatone

Structural Information

Molecular Formula
C20H18O7
SMILES
CC(C)(C1CC2=C(O1)C=C(C3=C2OC=C(C3=O)C4=C(C=C(C=C4)O)O)O)O
InChI
InChI=1S/C20H18O7/c1-20(2,25)16-6-11-15(27-16)7-14(23)17-18(24)12(8-26-19(11)17)10-4-3-9(21)5-13(10)22/h3-5,7-8,16,21-23,25H,6H2,1-2H3
InChIKey
UQLCEZCBCSBXKA-UHFFFAOYSA-N
Compound name
3-(2,4-dihydroxyphenyl)-5-hydroxy-8-(2-hydroxypropan-2-yl)-8,9-dihydrofuro[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

370.10526 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.11254 183.3
[M+Na]+ 393.09448 193.0
[M-H]- 369.09798 189.7
[M+NH4]+ 388.13908 194.6
[M+K]+ 409.06842 191.0
[M+H-H2O]+ 353.10252 177.9
[M+HCOO]- 415.10346 196.0
[M+CH3COO]- 429.11911 211.5
[M+Na-2H]- 391.07993 187.3
[M]+ 370.10471 187.4
[M]- 370.10581 187.4
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

patents stripe