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]+ 397.261826 202.1
[M+Na]+ 419.243768 201.0
[M-H]- 395.247274 198.5
[M+NH4]+ 414.288373 221.6
[M+K]+ 435.217708 201.7
[M+H-H2O]+ 379.251810 194.7
[M+HCOO]- 441.252751 213.7
[M+CH3COO]- 455.268401 223.5
[M+Na-2H]- 417.229216 192.9
[M]+ 396.25400142 213.3
[M]- 396.25509858 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.