CID 15953898

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

Structural Information

Molecular Formula
C26H48O5
SMILES
CCCCCCCCCCCCCCC[C@@H](C[C@@H](C[C@@H](C[C@H]1CC=CC(=O)O1)O)O)O
InChI
InChI=1S/C26H48O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-22(27)19-23(28)20-24(29)21-25-17-15-18-26(30)31-25/h15,18,22-25,27-29H,2-14,16-17,19-21H2,1H3/t22-,23-,24-,25+/m0/s1
InChIKey
ZRSGGHWJPOEZQF-OJJQZRKESA-N
Compound name
(2R)-2-[(2S,4S,6S)-2,4,6-trihydroxyhenicosyl]-2,3-dihydropyran-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.3502 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.35748 220.1
[M+Na]+ 463.33942 216.9
[M-H]- 439.34292 216.4
[M+NH4]+ 458.38402 225.5
[M+K]+ 479.31336 213.5
[M+H-H2O]+ 423.34746 211.6
[M+HCOO]- 485.34840 228.7
[M+CH3COO]- 499.36405 228.3
[M+Na-2H]- 461.32487 212.6
[M]+ 440.34965 223.2
[M]- 440.35075 223.2
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.