CID 53602

77234-69-6

Structural Information

Molecular Formula

C₁₁H₁₁N₃O

SMILES

C1=CC(=CC=C1C(=O)CN2C=CN=C2)N

InChI

InChI=1S/C11H11N3O/c12-10-3-1-9(2-4-10)11(15)7-14-6-5-13-8-14/h1-6,8H,7,12H2

InChIKey

QRMNVYHFJCGDDI-UHFFFAOYSA-N

Compound name

1-(4-aminophenyl)-2-imidazol-1-ylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 7
Patents: 201.09021 Da
Monoisotopic Mass: 0.8
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]+	202.09749	143.8
[M+Na]+	224.07943	155.8
[M+NH4]+	219.12403	151.3
[M+K]+	240.05337	151.8
[M-H]-	200.08293	146.5
[M+Na-2H]-	222.06488	151.6
[M]+	201.08966	146.0
[M]-	201.09076	146.0

Literature stripe

literature stripe

Patent stripe

patents stripe