CID 6436113

Nifurprazine

Structural Information

Molecular Formula
C10H8N4O3
SMILES
C1=CC(=NN=C1/C=C/C2=CC=C(O2)[N+](=O)[O-])N
InChI
InChI=1S/C10H8N4O3/c11-9-5-2-7(12-13-9)1-3-8-4-6-10(17-8)14(15)16/h1-6H,(H2,11,13)/b3-1+
InChIKey
XDWLRMBWIWKFNC-HNQUOIGGSA-N
Compound name
6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]pyridazin-3-amine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

1335
Patents

232.05965 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.06693 147.6
[M+Na]+ 255.04887 155.4
[M-H]- 231.05237 152.7
[M+NH4]+ 250.09347 161.7
[M+K]+ 271.02281 148.9
[M+H-H2O]+ 215.05691 143.6
[M+HCOO]- 277.05785 172.4
[M+CH3COO]- 291.07350 183.6
[M+Na-2H]- 253.03432 155.8
[M]+ 232.05910 145.8
[M]- 232.06020 145.8
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.