CID 203440

3-o-(2-(diethylamino)ethyl)-1:2,5:6-di-o-isopropylidene-alpha-d-glucofuranose

Structural Information

Molecular Formula
C18H33NO6
SMILES
CCN(CC)CCO[C@H]1[C@H](OC2C1OC(O2)(C)C)[C@H]3COC(O3)(C)C
InChI
InChI=1S/C18H33NO6/c1-7-19(8-2)9-10-20-14-13(12-11-21-17(3,4)23-12)22-16-15(14)24-18(5,6)25-16/h12-16H,7-11H2,1-6H3/t12-,13-,14+,15?,16?/m1/s1
InChIKey
QQDAMQVOIDLKDR-OXLPJUHDSA-N
Compound name
2-[[(5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.23077 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.23805 180.6
[M+Na]+ 382.21999 186.6
[M+NH4]+ 377.26459 189.0
[M+K]+ 398.19393 186.8
[M-H]- 358.22349 187.9
[M+Na-2H]- 380.20544 180.4
[M]+ 359.23022 183.7
[M]- 359.23132 183.7
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.