CID 3067654

L-iditol, 1,4:3,6-dianhydro-2-deoxy-2-((2-phenoxyethyl)amino)-, 5-nitrate, monohydrochloride

Structural Information

Molecular Formula
C14H18N2O6
SMILES
C1[C@@H]([C@@H]2[C@H](O1)[C@H](CO2)O[N+](=O)[O-])NCCOC3=CC=CC=C3
InChI
InChI=1S/C14H18N2O6/c17-16(18)22-12-9-21-13-11(8-20-14(12)13)15-6-7-19-10-4-2-1-3-5-10/h1-5,11-15H,6-9H2/t11-,12-,13+,14+/m0/s1
InChIKey
FSAHDFJBCHTOSX-IGQOVBAYSA-N
Compound name
[(3S,3aR,6S,6aS)-3-(2-phenoxyethylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.1165 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.12378 167.5
[M+Na]+ 333.10572 176.1
[M+NH4]+ 328.15032 174.2
[M+K]+ 349.07966 178.4
[M-H]- 309.10922 173.5
[M+Na-2H]- 331.09117 169.5
[M]+ 310.11595 170.0
[M]- 310.11705 170.0
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.