CID 339977

3672-37-5

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

literature stripe

Patent stripe

patents stripe