CID 5748725

5,8,11,14,17,20,23-heptaoxa-6,9,12,15,18,21-hexamethyltetracosan-3-ol

Structural Information

Molecular Formula
C23H48O8
SMILES
CC[C@@H](CO[C@@H](C)CO[C@@H](C)CO[C@@H](C)CO[C@@H](C)CO[C@@H](C)CO[C@@H](C)COC)O
InChI
InChI=1S/C23H48O8/c1-9-23(24)16-31-22(7)15-30-21(6)14-29-20(5)13-28-19(4)12-27-18(3)11-26-17(2)10-25-8/h17-24H,9-16H2,1-8H3/t17-,18-,19-,20-,21-,22-,23-/m0/s1
InChIKey
YELAUJGAFYBBGT-FQJIPJFPSA-N
Compound name
(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-methoxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxybutan-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

452.33493 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.342206 222.6
[M+Na]+ 475.324148 228.4
[M-H]- 451.327654 219.5
[M+NH4]+ 470.368753 232.7
[M+K]+ 491.298088 227.6
[M+H-H2O]+ 435.332190 226.8
[M+HCOO]- 497.333131 218.4
[M+CH3COO]- 511.348781 236.2
[M+Na-2H]- 473.309596 212.1
[M]+ 452.33438142 224.1
[M]- 452.33547858 224.1
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.