CID 165342730

(2s,3s,4r,5r)-2-(4-amino-1-naphthalenyl)-5-(hydroxymethyl)-3,4-pyrrolidinediol

Structural Information

Molecular Formula
C15H18N2O3
SMILES
C1=CC=C2C(=C1)C(=CC=C2N)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O
InChI
InChI=1S/C15H18N2O3/c16-11-6-5-10(8-3-1-2-4-9(8)11)13-15(20)14(19)12(7-18)17-13/h1-6,12-15,17-20H,7,16H2/t12-,13+,14-,15+/m1/s1
InChIKey
LTOACBHWPDVJOV-BARDWOONSA-N
Compound name
(2S,3S,4R,5R)-2-(4-aminonaphthalen-1-yl)-5-(hydroxymethyl)pyrrolidine-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.13174 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.13902 162.2
[M+Na]+ 297.12096 169.4
[M-H]- 273.12446 163.4
[M+NH4]+ 292.16556 177.1
[M+K]+ 313.09490 163.2
[M+H-H2O]+ 257.12900 155.9
[M+HCOO]- 319.12994 177.6
[M+CH3COO]- 333.14559 172.0
[M+Na-2H]- 295.10641 162.7
[M]+ 274.13119 156.4
[M]- 274.13229 156.4
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.