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 201.3
[M+Na]+ 426.22509 205.5
[M-H]- 402.22859 200.8
[M+NH4]+ 421.26969 210.6
[M+K]+ 442.19903 200.8
[M+H-H2O]+ 386.23313 192.6
[M+HCOO]- 448.23407 218.2
[M+CH3COO]- 462.24972 222.8
[M+Na-2H]- 424.21054 197.5
[M]+ 403.23532 208.9
[M]- 403.23642 208.9
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.