CID 5748727

72187-30-5

Structural Information

Molecular Formula
C19H40O6S
SMILES
C[C@@H](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/C19H40O6S/c1-14(20)8-21-15(2)9-22-16(3)10-23-17(4)11-24-18(5)12-25-19(6)13-26-7/h14-20H,8-13H2,1-7H3/t14-,15-,16-,17-,18-,19+/m0/s1
InChIKey
CDCOZVHLCQGWRP-KOUJMVCDSA-N
Compound name
(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-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.25455 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.26183 202.1
[M+Na]+ 419.24377 201.0
[M-H]- 395.24727 198.5
[M+NH4]+ 414.28837 221.6
[M+K]+ 435.21771 201.7
[M+H-H2O]+ 379.25181 194.7
[M+HCOO]- 441.25275 213.7
[M+CH3COO]- 455.26840 223.5
[M+Na-2H]- 417.22922 192.9
[M]+ 396.25400 213.3
[M]- 396.25510 213.3
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.