CID 49393

1-alpha-l-arabinopyranosyl-6-nitroindole

Structural Information

Molecular Formula
C13H14N2O7
SMILES
C1[C@H](C(C([C@@H](O1)ON2C=CC3=C2C=C(C=C3)[N+](=O)[O-])O)O)O
InChI
InChI=1S/C13H14N2O7/c16-10-6-21-13(12(18)11(10)17)22-14-4-3-7-1-2-8(15(19)20)5-9(7)14/h1-5,10-13,16-18H,6H2/t10-,11?,12?,13+/m1/s1
InChIKey
XHQAZNRJHYVWQB-XVSSEFHLSA-N
Compound name
(2S,5R)-2-(6-nitroindol-1-yl)oxyoxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.0801 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.08738 164.0
[M+Na]+ 333.06932 175.4
[M+NH4]+ 328.11392 169.4
[M+K]+ 349.04326 177.0
[M-H]- 309.07282 167.1
[M+Na-2H]- 331.05477 166.3
[M]+ 310.07955 166.0
[M]- 310.08065 166.0
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.