CID 85822028

Ethyl 2-formyl-3-nitroimidazo[1,2-a]pyridine-5-carboxylate

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]+ 264.061506 153.1
[M+Na]+ 286.043448 162.8
[M-H]- 262.046954 156.3
[M+NH4]+ 281.088053 169.2
[M+K]+ 302.017388 156.7
[M+H-H2O]+ 246.051490 150.3
[M+HCOO]- 308.052431 177.4
[M+CH3COO]- 322.068081 189.1
[M+Na-2H]- 284.028896 160.8
[M]+ 263.05368142 157.3
[M]- 263.05477858 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.