CID 339978

Imidazo(1,2-a)pyridine, 7-methyl-3-nitroso-2-phenyl-

Structural Information

Molecular Formula
C14H11N3O
SMILES
CC1=CC2=NC(=C(N2C=C1)N=O)C3=CC=CC=C3
InChI
InChI=1S/C14H11N3O/c1-10-7-8-17-12(9-10)15-13(14(17)16-18)11-5-3-2-4-6-11/h2-9H,1H3
InChIKey
BQXJKMUOAGHTFY-UHFFFAOYSA-N
Compound name
7-methyl-3-nitroso-2-phenylimidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

237.09021 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.09749 150.4
[M+Na]+ 260.07943 162.1
[M-H]- 236.08293 158.0
[M+NH4]+ 255.12403 169.0
[M+K]+ 276.05337 157.7
[M+H-H2O]+ 220.08747 141.6
[M+HCOO]- 282.08841 177.1
[M+CH3COO]- 296.10406 164.7
[M+Na-2H]- 258.06488 158.6
[M]+ 237.08966 154.6
[M]- 237.09076 154.6
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