CID 3067621

81785-45-7

Structural Information

Molecular Formula
C15H19ClN2O6
SMILES
C1[C@@H]([C@@H]2[C@H](O1)[C@H](CO2)O[N+](=O)[O-])NCCCOC3=CC=CC=C3Cl
InChI
InChI=1S/C15H19ClN2O6/c16-10-4-1-2-5-12(10)21-7-3-6-17-11-8-22-15-13(24-18(19)20)9-23-14(11)15/h1-2,4-5,11,13-15,17H,3,6-9H2/t11-,13-,14+,15+/m0/s1
InChIKey
LXYRXFFYYLBFBX-SPWCGHHHSA-N
Compound name
[(3S,3aR,6S,6aS)-3-[3-(2-chlorophenoxy)propylamino]-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

358.09317 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.10045 177.3
[M+Na]+ 381.08239 186.9
[M+NH4]+ 376.12699 184.1
[M+K]+ 397.05633 188.1
[M-H]- 357.08589 183.3
[M+Na-2H]- 379.06784 178.9
[M]+ 358.09262 180.2
[M]- 358.09372 180.2
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.