CID 11589925

(2s)-2-[(4r,6s)-4,6-dihydroxyhenicosyl]-2,3-dihydropyran-6-one

Structural Information

Molecular Formula
C26H48O4
SMILES
CCCCCCCCCCCCCCC[C@@H](C[C@@H](CCC[C@H]1CC=CC(=O)O1)O)O
InChI
InChI=1S/C26H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-23(27)22-24(28)18-15-19-25-20-16-21-26(29)30-25/h16,21,23-25,27-28H,2-15,17-20,22H2,1H3/t23-,24+,25-/m0/s1
InChIKey
VYNRYZPLKVMAEF-GVAUOCQISA-N
Compound name
(2S)-2-[(4R,6S)-4,6-dihydroxyhenicosyl]-2,3-dihydropyran-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.35526 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.36254 217.2
[M+Na]+ 447.34448 214.8
[M-H]- 423.34798 214.8
[M+NH4]+ 442.38908 224.1
[M+K]+ 463.31842 210.9
[M+H-H2O]+ 407.35252 208.5
[M+HCOO]- 469.35346 228.1
[M+CH3COO]- 483.36911 227.7
[M+Na-2H]- 445.32993 211.2
[M]+ 424.35471 221.3
[M]- 424.35581 221.3
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.