CID 201121

3323-01-1

Structural Information

Molecular Formula
C13H8N4O3
SMILES
C1=CC2=NC(=C(N2C=C1)N=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C13H8N4O3/c18-15-13-12(14-11-3-1-2-8-16(11)13)9-4-6-10(7-5-9)17(19)20/h1-8H
InChIKey
AAVJZUPADMJRQF-UHFFFAOYSA-N
Compound name
2-(4-nitrophenyl)-3-nitrosoimidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.05963 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.06691 154.4
[M+Na]+ 291.04885 163.9
[M-H]- 267.05235 162.1
[M+NH4]+ 286.09345 170.2
[M+K]+ 307.02279 156.3
[M+H-H2O]+ 251.05689 149.6
[M+HCOO]- 313.05783 182.1
[M+CH3COO]- 327.07348 195.2
[M+Na-2H]- 289.03430 165.0
[M]+ 268.05908 156.5
[M]- 268.06018 156.5
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.