CID 632835

Lupinisoflavone b

Structural Information

Molecular Formula
C20H18O7
SMILES
CC(C)(C1CC2=C(O1)C=C3C(=C2O)C(=O)C(=CO3)C4=C(C=C(C=C4)O)O)O
InChI
InChI=1S/C20H18O7/c1-20(2,25)16-6-11-14(27-16)7-15-17(18(11)23)19(24)12(8-26-15)10-4-3-9(21)5-13(10)22/h3-5,7-8,16,21-23,25H,6H2,1-2H3
InChIKey
MPYLJLHMKWTFTC-UHFFFAOYSA-N
Compound name
6-(2,4-dihydroxyphenyl)-4-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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

literature stripe

Patent stripe

patents stripe