CID 170855373

4-[(2r,4s,5s)-4-azido-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-oxo-1h-pyridine-2-carbonitrile

Structural Information

Molecular Formula
C11H11N5O3
SMILES
C1[C@@H]([C@H](O[C@H]1C2=CC(=O)NC(=C2)C#N)CO)N=[N+]=[N-]
InChI
InChI=1S/C11H11N5O3/c12-4-7-1-6(2-11(18)14-7)9-3-8(15-16-13)10(5-17)19-9/h1-2,8-10,17H,3,5H2,(H,14,18)/t8-,9+,10+/m0/s1
InChIKey
WOWOKFVPKSZZPC-IVZWLZJFSA-N
Compound name
4-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1H-pyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.08618 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.09346 161.2
[M+Na]+ 284.07540 169.4
[M-H]- 260.07890 165.6
[M+NH4]+ 279.12000 173.6
[M+K]+ 300.04934 161.8
[M+H-H2O]+ 244.08344 150.2
[M+HCOO]- 306.08438 182.0
[M+CH3COO]- 320.10003 203.5
[M+Na-2H]- 282.06085 166.6
[M]+ 261.08563 152.0
[M]- 261.08673 152.0
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.