CID 339977

3-nitroso-2-phenylimidazo[1,2-a]pyridine

Structural Information

Molecular Formula
C13H9N3O
SMILES
C1=CC=C(C=C1)C2=C(N3C=CC=CC3=N2)N=O
InChI
InChI=1S/C13H9N3O/c17-15-13-12(10-6-2-1-3-7-10)14-11-8-4-5-9-16(11)13/h1-9H
InChIKey
HYFJUZQWWMWFQT-UHFFFAOYSA-N
Compound name
3-nitroso-2-phenylimidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

223.07455 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.08183 145.3
[M+Na]+ 246.06377 156.5
[M-H]- 222.06727 152.7
[M+NH4]+ 241.10837 164.1
[M+K]+ 262.03771 152.3
[M+H-H2O]+ 206.07181 136.4
[M+HCOO]- 268.07275 172.4
[M+CH3COO]- 282.08840 159.7
[M+Na-2H]- 244.04922 154.8
[M]+ 223.07400 148.7
[M]- 223.07510 148.7
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.