CID 6474785

Chembl462675

Structural Information

Molecular Formula
C19H22O5
SMILES
CCCC1=CC(=O)OC2=C1C(=CC(=C2C(=O)/C(=C/C)/C)OC)OC
InChI
InChI=1S/C19H22O5/c1-6-8-12-9-15(20)24-19-16(12)13(22-4)10-14(23-5)17(19)18(21)11(3)7-2/h7,9-10H,6,8H2,1-5H3/b11-7+
InChIKey
HJTTYQGWKFPWJE-YRNVUSSQSA-N
Compound name
5,7-dimethoxy-8-[(E)-2-methylbut-2-enoyl]-4-propylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.14673 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.15401 175.1
[M+Na]+ 353.13595 184.2
[M-H]- 329.13945 180.9
[M+NH4]+ 348.18055 189.6
[M+K]+ 369.10989 182.6
[M+H-H2O]+ 313.14399 168.1
[M+HCOO]- 375.14493 194.8
[M+CH3COO]- 389.16058 214.1
[M+Na-2H]- 351.12140 176.5
[M]+ 330.14618 183.8
[M]- 330.14728 183.8
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.