CID 5748723

72187-25-8

Structural Information

Molecular Formula
C20H42O7
SMILES
CC[C@@H](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/C20H42O7/c1-8-20(21)14-27-19(6)13-26-18(5)12-25-17(4)11-24-16(3)10-23-15(2)9-22-7/h15-21H,8-14H2,1-7H3/t15-,16-,17-,18-,19-,20-/m0/s1
InChIKey
PNVMQWAENBPTDS-RABCQHRBSA-N
Compound name
(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]oxybutan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

394.29306 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.30034 208.4
[M+Na]+ 417.28228 214.8
[M-H]- 393.28578 204.4
[M+NH4]+ 412.32688 216.3
[M+K]+ 433.25622 205.1
[M+H-H2O]+ 377.29032 196.2
[M+HCOO]- 439.29126 207.8
[M+CH3COO]- 453.30691 224.9
[M+Na-2H]- 415.26773 195.9
[M]+ 394.29251 209.8
[M]- 394.29361 209.8
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.