CID 6445498

Pyridazine, 3-ethoxy-6-(2-(5-nitro-2-furyl)vinyl)-

Structural Information

Molecular Formula
C12H11N3O4
SMILES
CCOC1=NN=C(C=C1)/C=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C12H11N3O4/c1-2-18-11-7-4-9(13-14-11)3-5-10-6-8-12(19-10)15(16)17/h3-8H,2H2,1H3/b5-3+
InChIKey
IYIIMKSZBWVFQA-HWKANZROSA-N
Compound name
3-ethoxy-6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.07495 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.082226 156.7
[M+Na]+ 284.064168 164.4
[M-H]- 260.067674 162.0
[M+NH4]+ 279.108773 170.2
[M+K]+ 300.038108 158.5
[M+H-H2O]+ 244.072210 152.6
[M+HCOO]- 306.073151 180.6
[M+CH3COO]- 320.088801 187.7
[M+Na-2H]- 282.049616 164.3
[M]+ 261.07440142 158.6
[M]- 261.07549858 158.6
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.