CID 32237

Acetophenone, 2-(1-imidazolyl)-4'-methoxy-, nitrate

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₂

SMILES

COC1=CC=C(C=C1)C(=O)CN2C=CN=C2

InChI

InChI=1S/C12H12N2O2/c1-16-11-4-2-10(3-5-11)12(15)8-14-7-6-13-9-14/h2-7,9H,8H2,1H3

InChIKey

PIIYRILVGMWNKK-UHFFFAOYSA-N

Compound name

2-imidazol-1-yl-1-(4-methoxyphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 28
Patents: 216.08987 Da
Monoisotopic Mass: 1.5
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]+	217.097146	146.4
[M+Na]+	239.079088	154.6
[M-H]-	215.082594	150.6
[M+NH4]+	234.123693	163.7
[M+K]+	255.053028	152.1
[M+H-H2O]+	199.087130	137.9
[M+HCOO]-	261.088071	169.2
[M+CH3COO]-	275.103721	186.5
[M+Na-2H]-	237.064536	151.0
[M]+	216.08932142	148.4
[M]-	216.09041858	148.4

Literature stripe

literature stripe

Patent stripe

patents stripe