CID 339979

93745-54-1

Structural Information

Molecular Formula

C₁₄H₁₁N₃O

SMILES

CC1=CN2C(=NC(=C2N=O)C3=CC=CC=C3)C=C1

InChI

InChI=1S/C14H11N3O/c1-10-7-8-12-15-13(11-5-3-2-4-6-11)14(16-18)17(12)9-10/h2-9H,1H3

InChIKey

ZQKIQHFLDSUHIJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 237.09021 Da
Monoisotopic Mass: 3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe