CID 3051363

1,2:5,6-bis-o-(1-methylethylidene)-3-o-(2-(1-piperidinyl)ethyl)-alpha-d-glucofuranose

Structural Information

Molecular Formula
C19H33NO6
SMILES
CC1(OC[C@@H](O1)[C@@H]2[C@@H](C3C(O2)OC(O3)(C)C)OCCN4CCCCC4)C
InChI
InChI=1S/C19H33NO6/c1-18(2)22-12-13(24-18)14-15(16-17(23-14)26-19(3,4)25-16)21-11-10-20-8-6-5-7-9-20/h13-17H,5-12H2,1-4H3/t13-,14-,15+,16?,17?/m1/s1
InChIKey
NZOQGRABELUKBX-BKYIEACKSA-N
Compound name
1-[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]ethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.23077 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.23805 184.5
[M+Na]+ 394.21999 188.7
[M-H]- 370.22349 195.2
[M+NH4]+ 389.26459 198.3
[M+K]+ 410.19393 192.2
[M+H-H2O]+ 354.22803 182.5
[M+HCOO]- 416.22897 193.8
[M+CH3COO]- 430.24462 194.4
[M+Na-2H]- 392.20544 182.8
[M]+ 371.23022 187.0
[M]- 371.23132 187.0
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.