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]+ 357.20604 189.3
[M+Na]+ 379.18798 194.1
[M-H]- 355.19148 189.3
[M+NH4]+ 374.23258 199.8
[M+K]+ 395.16192 186.7
[M+H-H2O]+ 339.19602 181.8
[M+HCOO]- 401.19696 207.6
[M+CH3COO]- 415.21261 208.1
[M+Na-2H]- 377.17343 189.3
[M]+ 356.19821 192.7
[M]- 356.19931 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.