CID 18740501

23646-67-5

Structural Information

Molecular Formula
C14H18N2O8
SMILES
CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC2=CC=CC=C2[N+](=O)[O-])CO)O)O
InChI
InChI=1S/C14H18N2O8/c1-7(18)15-11-13(20)12(19)10(6-17)24-14(11)23-9-5-3-2-4-8(9)16(21)22/h2-5,10-14,17,19-20H,6H2,1H3,(H,15,18)/t10-,11-,12+,13-,14+/m1/s1
InChIKey
PXMQUEGJJUADKD-RGDJUOJXSA-N
Compound name
N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-nitrophenoxy)oxan-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

342.10632 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.11360 172.6
[M+Na]+ 365.09554 175.8
[M-H]- 341.09904 175.8
[M+NH4]+ 360.14014 181.1
[M+K]+ 381.06948 171.0
[M+H-H2O]+ 325.10358 169.3
[M+HCOO]- 387.10452 189.3
[M+CH3COO]- 401.12017 201.0
[M+Na-2H]- 363.08099 175.6
[M]+ 342.10577 169.7
[M]- 342.10687 169.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe