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]+ 331.154006 175.1
[M+Na]+ 353.135948 184.2
[M-H]- 329.139454 180.9
[M+NH4]+ 348.180553 189.6
[M+K]+ 369.109888 182.6
[M+H-H2O]+ 313.143990 168.1
[M+HCOO]- 375.144931 194.8
[M+CH3COO]- 389.160581 214.1
[M+Na-2H]- 351.121396 176.5
[M]+ 330.14618142 183.8
[M]- 330.14727858 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.