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]+ 395.300336 208.4
[M+Na]+ 417.282278 214.8
[M-H]- 393.285784 204.4
[M+NH4]+ 412.326883 216.3
[M+K]+ 433.256218 205.1
[M+H-H2O]+ 377.290320 196.2
[M+HCOO]- 439.291261 207.8
[M+CH3COO]- 453.306911 224.9
[M+Na-2H]- 415.267726 195.9
[M]+ 394.29251142 209.8
[M]- 394.29360858 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.