CID 154734771

Dtxsid701018691

Structural Information

Molecular Formula
C23H33NO5
SMILES
CCCCC/C=C/C(=O)OCC1=C(C(=NC=C1COC(=O)/C=C/CCCC)C)O
InChI
InChI=1S/C23H33NO5/c1-4-6-8-10-12-14-22(26)29-17-20-19(15-24-18(3)23(20)27)16-28-21(25)13-11-9-7-5-2/h11-15,27H,4-10,16-17H2,1-3H3/b13-11+,14-12+
InChIKey
SXLDECOXRDNDJL-PHEQNACWSA-N
Compound name
[5-[[(E)-hept-2-enoyl]oxymethyl]-3-hydroxy-2-methylpyridin-4-yl]methyl (E)-oct-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.23587 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.24315 202.2
[M+Na]+ 426.22509 210.7
[M+NH4]+ 421.26969 204.6
[M+K]+ 442.19903 204.5
[M-H]- 402.22859 199.8
[M+Na-2H]- 424.21054 202.1
[M]+ 403.23532 202.2
[M]- 403.23642 202.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.