CID 44258305

4'-hydroxy-5-methoxy-7-(3-methyl-2,3-epoxybutoxy)flavone

Structural Information

Molecular Formula
C21H20O6
SMILES
CC1(C(O1)COC2=CC3=C(C(=C2)OC)C(=O)C=C(O3)C4=CC=C(C=C4)O)C
InChI
InChI=1S/C21H20O6/c1-21(2)19(27-21)11-25-14-8-17(24-3)20-15(23)10-16(26-18(20)9-14)12-4-6-13(22)7-5-12/h4-10,19,22H,11H2,1-3H3
InChIKey
OBWXJUKMULORIR-UHFFFAOYSA-N
Compound name
7-[(3,3-dimethyloxiran-2-yl)methoxy]-2-(4-hydroxyphenyl)-5-methoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.12598 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.13326 183.8
[M+Na]+ 391.11520 196.0
[M-H]- 367.11870 196.3
[M+NH4]+ 386.15980 191.8
[M+K]+ 407.08914 195.2
[M+H-H2O]+ 351.12324 175.6
[M+HCOO]- 413.12418 202.9
[M+CH3COO]- 427.13983 217.9
[M+Na-2H]- 389.10065 189.5
[M]+ 368.12543 195.2
[M]- 368.12653 195.2
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.