CID 617391

2-(3-nitrophenyl)imidazo[1,2-a]pyridine

Structural Information

Molecular Formula
C13H9N3O2
SMILES
C1=CC2=NC(=CN2C=C1)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C13H9N3O2/c17-16(18)11-5-3-4-10(8-11)12-9-15-7-2-1-6-13(15)14-12/h1-9H
InChIKey
SPUPFENARGKGHC-UHFFFAOYSA-N
Compound name
2-(3-nitrophenyl)imidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

25
Patents

239.06947 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.076746 149.1
[M+Na]+ 262.058688 158.3
[M-H]- 238.062194 155.1
[M+NH4]+ 257.103293 165.7
[M+K]+ 278.032628 149.9
[M+H-H2O]+ 222.066730 144.9
[M+HCOO]- 284.067671 174.1
[M+CH3COO]- 298.083321 185.6
[M+Na-2H]- 260.044136 159.1
[M]+ 239.06892142 149.1
[M]- 239.07001858 149.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe