CID 44259691

5,7-dihydroxy-3-methoxy-2-[3-methoxy-4-[(3-methyl-2-butenyl)oxy]phenyl]-4h-1-benzopyran-4-one

Structural Information

Molecular Formula
C22H22O7
SMILES
CC(=CCOC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC)OC)C
InChI
InChI=1S/C22H22O7/c1-12(2)7-8-28-16-6-5-13(9-17(16)26-3)21-22(27-4)20(25)19-15(24)10-14(23)11-18(19)29-21/h5-7,9-11,23-24H,8H2,1-4H3
InChIKey
FGCOHIKLPLTZAH-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-3-methoxy-2-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.13657 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.14385 192.6
[M+Na]+ 421.12579 201.7
[M-H]- 397.12929 199.4
[M+NH4]+ 416.17039 202.6
[M+K]+ 437.09973 199.6
[M+H-H2O]+ 381.13383 183.9
[M+HCOO]- 443.13477 210.4
[M+CH3COO]- 457.15042 221.8
[M+Na-2H]- 419.11124 193.7
[M]+ 398.13602 200.9
[M]- 398.13712 200.9
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.