CID 6445498

Brn 1000659

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]+ 262.08223 156.7
[M+Na]+ 284.06417 164.4
[M-H]- 260.06767 162.0
[M+NH4]+ 279.10877 170.2
[M+K]+ 300.03811 158.5
[M+H-H2O]+ 244.07221 152.6
[M+HCOO]- 306.07315 180.6
[M+CH3COO]- 320.08880 187.7
[M+Na-2H]- 282.04962 164.3
[M]+ 261.07440 158.6
[M]- 261.07550 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.