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]+ 455.30370 230.0
[M+Na]+ 477.28564 234.3
[M-H]- 453.28914 222.9
[M+NH4]+ 472.33024 238.1
[M+K]+ 493.25958 234.3
[M+H-H2O]+ 437.29368 209.5
[M+HCOO]- 499.29462 224.5
[M+CH3COO]- 513.31027 234.7
[M+Na-2H]- 475.27109 218.0
[M]+ 454.29587 232.3
[M]- 454.29697 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.