CID 4961864

110698-60-7

Structural Information

Molecular Formula

C₁₁H₁₁N₃O

SMILES

CN1C=CN=C1C(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C11H11N3O/c1-14-7-6-13-11(14)10(15)8-2-4-9(12)5-3-8/h2-7H,12H2,1H3

InChIKey

SFKMWUTWFHTKRN-UHFFFAOYSA-N

Compound name

(4-aminophenyl)-(1-methylimidazol-2-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 201.09021 Da
Monoisotopic Mass: 1.0
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	143.7
[M+Na]+	224.07943	156.2
[M+NH4]+	219.12403	151.2
[M+K]+	240.05337	152.3
[M-H]-	200.08293	146.5
[M+Na-2H]-	222.06488	151.3
[M]+	201.08966	146.1
[M]-	201.09076	146.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.