CID 14463173

3,9-dihydroxy-1-methoxy-8-prenylcoumestan

Structural Information

Molecular Formula
C21H18O6
SMILES
CC(=CCC1=CC2=C(C=C1O)OC3=C2C(=O)OC4=C3C(=CC(=C4)O)OC)C
InChI
InChI=1S/C21H18O6/c1-10(2)4-5-11-6-13-15(9-14(11)23)26-20-18(13)21(24)27-17-8-12(22)7-16(25-3)19(17)20/h4,6-9,22-23H,5H2,1-3H3
InChIKey
NPVAVSPMDJQPRK-UHFFFAOYSA-N
Compound name
3,9-dihydroxy-1-methoxy-8-(3-methylbut-2-enyl)-[1]benzofuro[3,2-c]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.11035 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.11763 184.3
[M+Na]+ 389.09957 197.3
[M-H]- 365.10307 191.7
[M+NH4]+ 384.14417 198.7
[M+K]+ 405.07351 194.5
[M+H-H2O]+ 349.10761 178.1
[M+HCOO]- 411.10855 202.8
[M+CH3COO]- 425.12420 196.7
[M+Na-2H]- 387.08502 188.9
[M]+ 366.10980 195.1
[M]- 366.11090 195.1
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.