CID 5468947

Nsc679901

Structural Information

Molecular Formula
C21H26O5
SMILES
CCCC1=CC(=O)OC2=C1C(=CC(=C2C(=O)/C(=C/C)/C)OCC)OCC
InChI
InChI=1S/C21H26O5/c1-6-10-14-11-17(22)26-21-18(14)15(24-8-3)12-16(25-9-4)19(21)20(23)13(5)7-2/h7,11-12H,6,8-10H2,1-5H3/b13-7+
InChIKey
ASXYHYBARCQXOB-NTUHNPAUSA-N
Compound name
5,7-diethoxy-8-[(E)-2-methylbut-2-enoyl]-4-propylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.178 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.18528 184.8
[M+Na]+ 381.16722 193.0
[M-H]- 357.17072 190.1
[M+NH4]+ 376.21182 198.0
[M+K]+ 397.14116 190.9
[M+H-H2O]+ 341.17526 177.3
[M+HCOO]- 403.17620 203.7
[M+CH3COO]- 417.19185 220.0
[M+Na-2H]- 379.15267 185.0
[M]+ 358.17745 194.1
[M]- 358.17855 194.1
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.