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]+ 341.211136 185.8
[M+Na]+ 363.193078 191.2
[M-H]- 339.196584 187.2
[M+NH4]+ 358.237683 197.8
[M+K]+ 379.167018 184.1
[M+H-H2O]+ 323.201120 178.4
[M+HCOO]- 385.202061 205.5
[M+CH3COO]- 399.217711 208.4
[M+Na-2H]- 361.178526 186.2
[M]+ 340.20331142 189.7
[M]- 340.20440858 189.7
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.