CID 3010294

1-(beta-d-2-deoxyribofuranosyl)-3-nitropyrrole

Structural Information

Molecular Formula
C9H12N2O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=CC(=C2)[N+](=O)[O-])CO)O
InChI
InChI=1S/C9H12N2O5/c12-5-8-7(13)3-9(16-8)10-2-1-6(4-10)11(14)15/h1-2,4,7-9,12-13H,3,5H2/t7-,8+,9+/m0/s1
InChIKey
WETFHJRYOTYZFD-DJLDLDEBSA-N
Compound name
(2R,3S,5R)-2-(hydroxymethyl)-5-(3-nitropyrrol-1-yl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

228.07462 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.08190 146.9
[M+Na]+ 251.06384 153.1
[M-H]- 227.06734 151.0
[M+NH4]+ 246.10844 163.5
[M+K]+ 267.03778 148.2
[M+H-H2O]+ 211.07188 145.7
[M+HCOO]- 273.07282 167.9
[M+CH3COO]- 287.08847 176.5
[M+Na-2H]- 249.04929 151.1
[M]+ 228.07407 144.3
[M]- 228.07517 144.3
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

patents stripe