CID 167994459

Cellulose, 2-hydroxyethyl2-[2-hydroxy-3-(trimethylammonio)propoxy]ethyl2-hydroxy-3-(trimethylammonio)propyl ether, chloride

Structural Information

Molecular Formula
C25H50NO16
SMILES
C[N+](C)(C)CC(COCCOC1C(C(C(OC1O)COCO)OC2C(C(C(C(O2)CO)OCCO)OCCO)O)O)O
InChI
InChI=1S/C25H50NO16/c1-26(2,3)10-15(31)12-35-8-9-39-23-18(32)20(17(13-36-14-30)40-24(23)34)42-25-19(33)22(38-7-5-28)21(37-6-4-27)16(11-29)41-25/h15-25,27-34H,4-14H2,1-3H3/q+1
InChIKey
PTMZSOJKPDVBBM-UHFFFAOYSA-N
Compound name
[3-[2-[2,4-dihydroxy-5-[3-hydroxy-4,5-bis(2-hydroxyethoxy)-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethoxymethyl)oxan-3-yl]oxyethoxy]-2-hydroxypropyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

620.313 Da
Monoisotopic Mass

-5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 621.32028 231.7
[M+Na]+ 643.30222 232.2
[M+NH4]+ 638.34682 215.3
[M+K]+ 659.27616 233.6
[M-H]- 619.30572 224.1
[M+Na-2H]- 641.28767 247.4
[M]+ 620.31245 229.3
[M]- 620.31355 229.3
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.