CID 480761

2-(2,4-bis-methoxymethoxy-phenyl)-5-hydroxy-7-methoxymethoxy-1-benzopyran-4-one

Structural Information

Molecular Formula
C21H24O9
SMILES
COCOC1=CC(=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)OCOC)O)OCOC
InChI
InChI=1S/C21H24O9/c1-24-10-27-13-4-5-15(18(7-13)29-12-26-3)19-9-17(23)21-16(22)6-14(28-11-25-2)8-20(21)30-19/h4-8,19,22H,9-12H2,1-3H3
InChIKey
DKWPGOTUYOJIDC-UHFFFAOYSA-N
Compound name
2-[2,4-bis(methoxymethoxy)phenyl]-5-hydroxy-7-(methoxymethoxy)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

420.14203 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.14931 193.8
[M+Na]+ 443.13125 200.3
[M-H]- 419.13475 200.6
[M+NH4]+ 438.17585 202.8
[M+K]+ 459.10519 200.9
[M+H-H2O]+ 403.13929 184.1
[M+HCOO]- 465.14023 211.7
[M+CH3COO]- 479.15588 225.1
[M+Na-2H]- 441.11670 196.5
[M]+ 420.14148 204.5
[M]- 420.14258 204.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.