CID 5748729

72187-32-7

Structural Information

Molecular Formula
C22H46O7S
SMILES
C[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)CSC)O
InChI
InChI=1S/C22H46O7S/c1-16(23)9-24-17(2)10-25-18(3)11-26-19(4)12-27-20(5)13-28-21(6)14-29-22(7)15-30-8/h16-23H,9-15H2,1-8H3/t16-,17-,18-,19-,20-,21-,22+/m0/s1
InChIKey
JAVFXBVUXMBLKS-NTNVJIBLSA-N
Compound name
(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2R)-1-methylsulfanylpropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.29642 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.303696 230.0
[M+Na]+ 477.285638 234.3
[M-H]- 453.289144 222.9
[M+NH4]+ 472.330243 238.1
[M+K]+ 493.259578 234.3
[M+H-H2O]+ 437.293680 209.5
[M+HCOO]- 499.294621 224.5
[M+CH3COO]- 513.310271 234.7
[M+Na-2H]- 475.271086 218.0
[M]+ 454.29587142 232.3
[M]- 454.29696858 232.3
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.