CID 44258533

2-[3,5-dimethoxy-4-[(3-methyl-2-butenyl)oxy]phenyl]-5,6,7-trimethoxy-4h-1-benzopyran-4-one

Structural Information

Molecular Formula
C25H28O8
SMILES
CC(=CCOC1=C(C=C(C=C1OC)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)OC)C
InChI
InChI=1S/C25H28O8/c1-14(2)8-9-32-23-19(27-3)10-15(11-20(23)28-4)17-12-16(26)22-18(33-17)13-21(29-5)24(30-6)25(22)31-7/h8,10-13H,9H2,1-7H3
InChIKey
FCJULDZGZAWBOI-UHFFFAOYSA-N
Compound name
2-[3,5-dimethoxy-4-(3-methylbut-2-enoxy)phenyl]-5,6,7-trimethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.1784 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.18568 208.0
[M+Na]+ 479.16762 217.1
[M-H]- 455.17112 217.1
[M+NH4]+ 474.21222 217.0
[M+K]+ 495.14156 217.0
[M+H-H2O]+ 439.17566 197.9
[M+HCOO]- 501.17660 227.7
[M+CH3COO]- 515.19225 238.3
[M+Na-2H]- 477.15307 207.8
[M]+ 456.17785 222.5
[M]- 456.17895 222.5
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.