CID 390520

Artocarpetin a

Structural Information

Molecular Formula
C21H20O6
SMILES
CC(=CCC1=C(C=C(C2=C1OC(=CC2=O)C3=C(C=C(C=C3)O)O)O)OC)C
InChI
InChI=1S/C21H20O6/c1-11(2)4-6-14-18(26-3)9-16(24)20-17(25)10-19(27-21(14)20)13-7-5-12(22)8-15(13)23/h4-5,7-10,22-24H,6H2,1-3H3
InChIKey
RZVNDYZVNDJBPR-UHFFFAOYSA-N
Compound name
2-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-8-(3-methylbut-2-enyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

368.12598 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.13326 185.8
[M+Na]+ 391.11520 195.3
[M-H]- 367.11870 191.4
[M+NH4]+ 386.15980 196.5
[M+K]+ 407.08914 191.7
[M+H-H2O]+ 351.12324 177.9
[M+HCOO]- 413.12418 202.3
[M+CH3COO]- 427.13983 214.5
[M+Na-2H]- 389.10065 186.8
[M]+ 368.12543 190.6
[M]- 368.12653 190.6
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.