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]+ 453.34221 222.6
[M+Na]+ 475.32415 228.4
[M-H]- 451.32765 219.5
[M+NH4]+ 470.36875 232.7
[M+K]+ 491.29809 227.6
[M+H-H2O]+ 435.33219 226.8
[M+HCOO]- 497.33313 218.4
[M+CH3COO]- 511.34878 236.2
[M+Na-2H]- 473.30960 212.1
[M]+ 452.33438 224.1
[M]- 452.33548 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.