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 185.8
[M+Na]+ 363.19308 191.2
[M-H]- 339.19658 187.2
[M+NH4]+ 358.23768 197.8
[M+K]+ 379.16702 184.1
[M+H-H2O]+ 323.20112 178.4
[M+HCOO]- 385.20206 205.5
[M+CH3COO]- 399.21771 208.4
[M+Na-2H]- 361.17853 186.2
[M]+ 340.20331 189.7
[M]- 340.20441 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.