CID 134216

Lf 1351

Structural Information

Molecular Formula
C18H19NO8
SMILES
C1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC=C(C=C2)C(C3=CC=C(C=C3)[N+](=O)[O-])O)O)O)O
InChI
InChI=1S/C18H19NO8/c20-14-9-26-18(17(23)16(14)22)27-13-7-3-11(4-8-13)15(21)10-1-5-12(6-2-10)19(24)25/h1-8,14-18,20-23H,9H2/t14-,15?,16+,17-,18+/m1/s1
InChIKey
MCUKHKIDZNIJGQ-KLUKMEKLSA-N
Compound name
(2S,3R,4S,5R)-2-[4-[hydroxy-(4-nitrophenyl)methyl]phenoxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

377.11105 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.11833 183.6
[M+Na]+ 400.10027 194.8
[M+NH4]+ 395.14487 188.1
[M+K]+ 416.07421 194.5
[M-H]- 376.10377 188.6
[M+Na-2H]- 398.08572 187.4
[M]+ 377.11050 186.1
[M]- 377.11160 186.1
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