CID 11748655

Prosolanapyrone iii

Structural Information

Molecular Formula
C18H22O4
SMILES
C/C=C/C=C/CCCC/C=C/C1=CC(=C(C(=O)O1)C=O)OC
InChI
InChI=1S/C18H22O4/c1-3-4-5-6-7-8-9-10-11-12-15-13-17(21-2)16(14-19)18(20)22-15/h3-6,11-14H,7-10H2,1-2H3/b4-3+,6-5+,12-11+
InChIKey
KINNIEOBQSTCFI-JHHIBIJLSA-N
Compound name
4-methoxy-2-oxo-6-[(1E,7E,9E)-undeca-1,7,9-trienyl]pyran-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

302.1518 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.15908 172.3
[M+Na]+ 325.14102 184.3
[M+NH4]+ 320.18562 177.2
[M+K]+ 341.11496 176.6
[M-H]- 301.14452 173.5
[M+Na-2H]- 323.12647 175.2
[M]+ 302.15125 174.1
[M]- 302.15235 174.1
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

patents stripe