CID 162680203

Cordypyrone a

Structural Information

Molecular Formula
C22H28O3
SMILES
C/C=C/C=C/C=C/CCCCCC/C=C/C=C/C1=CC(=CC(=O)O1)O
InChI
InChI=1S/C22H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-20(23)19-22(24)25-21/h2-7,14-19,23H,8-13H2,1H3/b3-2+,5-4+,7-6+,15-14+,17-16+
InChIKey
KEUFXCOYUXJBSZ-FLTLSNBBSA-N
Compound name
6-[(1E,3E,11E,13E,15E)-heptadeca-1,3,11,13,15-pentaenyl]-4-hydroxypyran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.20386 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.21114 187.5
[M+Na]+ 363.19308 198.3
[M+NH4]+ 358.23768 191.8
[M+K]+ 379.16702 189.1
[M-H]- 339.19658 188.3
[M+Na-2H]- 361.17853 189.3
[M]+ 340.20331 188.9
[M]- 340.20441 188.9
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.