CID 10429974

5,7,8-trihydroxy-3-methoxyflavone 8-((e)-2-methylbut-2-enoate)

Structural Information

Molecular Formula
C21H18O7
SMILES
C/C=C(\C)/C(=O)OC1=C(C=C(C2=C1OC(=C(C2=O)OC)C3=CC=CC=C3)O)O
InChI
InChI=1S/C21H18O7/c1-4-11(2)21(25)28-18-14(23)10-13(22)15-16(24)20(26-3)17(27-19(15)18)12-8-6-5-7-9-12/h4-10,22-23H,1-3H3/b11-4+
InChIKey
RRKFFDGUNSJFHI-NYYWCZLTSA-N
Compound name
(5,7-dihydroxy-3-methoxy-4-oxo-2-phenylchromen-8-yl) (E)-2-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.10526 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.11254 186.5
[M+Na]+ 405.09448 195.2
[M-H]- 381.09798 193.1
[M+NH4]+ 400.13908 196.7
[M+K]+ 421.06842 193.2
[M+H-H2O]+ 365.10252 178.1
[M+HCOO]- 427.10346 203.9
[M+CH3COO]- 441.11911 217.2
[M+Na-2H]- 403.07993 187.6
[M]+ 382.10471 192.6
[M]- 382.10581 192.6
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.