CID 162680204

Cordypyrone b

Structural Information

Molecular Formula
C22H28O4
SMILES
C1=C(C=C(OC1=O)/C=C/C=C/CCCCCC/C=C/C=C/C=C/CO)O
InChI
InChI=1S/C22H28O4/c23-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-21-18-20(24)19-22(25)26-21/h5,7,9-16,18-19,23-24H,1-4,6,8,17H2/b7-5+,11-9+,12-10+,15-13+,16-14+
InChIKey
SJIXRAZKFFPFAN-AKDBFBRESA-N
Compound name
4-hydroxy-6-[(1E,3E,11E,13E,15E)-17-hydroxyheptadeca-1,3,11,13,15-pentaenyl]pyran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.19876 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.206036 189.3
[M+Na]+ 379.187978 194.1
[M-H]- 355.191484 189.3
[M+NH4]+ 374.232583 199.8
[M+K]+ 395.161918 186.7
[M+H-H2O]+ 339.196020 181.8
[M+HCOO]- 401.196961 207.6
[M+CH3COO]- 415.212611 208.1
[M+Na-2H]- 377.173426 189.3
[M]+ 356.19821142 192.7
[M]- 356.19930858 192.7
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.