CID 6436061

Nifurpirinol

Structural Information

Molecular Formula
C12H10N2O4
SMILES
C1=CC(=NC(=C1)/C=C/C2=CC=C(O2)[N+](=O)[O-])CO
InChI
InChI=1S/C12H10N2O4/c15-8-10-3-1-2-9(13-10)4-5-11-6-7-12(18-11)14(16)17/h1-7,15H,8H2/b5-4+
InChIKey
JQKHJQJVKRFMCO-SNAWJCMRSA-N
Compound name
[6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-2-pyridinyl]methanol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

12
References

1372
Patents

246.06406 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.071336 152.7
[M+Na]+ 269.053278 160.0
[M-H]- 245.056784 158.0
[M+NH4]+ 264.097883 167.5
[M+K]+ 285.027218 153.4
[M+H-H2O]+ 229.061320 149.9
[M+HCOO]- 291.062261 176.5
[M+CH3COO]- 305.077911 182.2
[M+Na-2H]- 267.038726 159.8
[M]+ 246.06351142 152.5
[M]- 246.06460858 152.5
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