CID 85822028

429690-69-7

Structural Information

Molecular Formula
C11H9N3O5
SMILES
CCOC(=O)C1=CC=CC2=NC(=C(N21)[N+](=O)[O-])C=O
InChI
InChI=1S/C11H9N3O5/c1-2-19-11(16)8-4-3-5-9-12-7(6-15)10(13(8)9)14(17)18/h3-6H,2H2,1H3
InChIKey
ZKRFTGIPZXZWIA-UHFFFAOYSA-N
Compound name
ethyl 2-formyl-3-nitroimidazo[1,2-a]pyridine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.05423 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.06151 153.1
[M+Na]+ 286.04345 162.8
[M-H]- 262.04695 156.3
[M+NH4]+ 281.08805 169.2
[M+K]+ 302.01739 156.7
[M+H-H2O]+ 246.05149 150.3
[M+HCOO]- 308.05243 177.4
[M+CH3COO]- 322.06808 189.1
[M+Na-2H]- 284.02890 160.8
[M]+ 263.05368 157.3
[M]- 263.05478 157.3
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

No patent data available for this compound.