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 184.2
[M+Na]+ 382.21999 189.5
[M-H]- 358.22349 195.1
[M+NH4]+ 377.26459 200.8
[M+K]+ 398.19393 194.1
[M+H-H2O]+ 342.22803 184.0
[M+HCOO]- 404.22897 199.3
[M+CH3COO]- 418.24462 220.1
[M+Na-2H]- 380.20544 185.6
[M]+ 359.23022 192.9
[M]- 359.23132 192.9
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.