CID 2828986

(4-aminophenyl)(3,4-dimethylphenyl)methanone

Structural Information

Molecular Formula

C₁₅H₁₅NO

SMILES

CC1=C(C=C(C=C1)C(=O)C2=CC=C(C=C2)N)C

InChI

InChI=1S/C15H15NO/c1-10-3-4-13(9-11(10)2)15(17)12-5-7-14(16)8-6-12/h3-9H,16H2,1-2H3

InChIKey

YDKUTIXKMCAGFZ-UHFFFAOYSA-N

Compound name

(4-aminophenyl)-(3,4-dimethylphenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 225.11537 Da
Monoisotopic Mass: 3.3
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]+	226.122646	150.8
[M+Na]+	248.104588	159.0
[M-H]-	224.108094	157.7
[M+NH4]+	243.149193	168.8
[M+K]+	264.078528	155.0
[M+H-H2O]+	208.112630	143.7
[M+HCOO]-	270.113571	174.7
[M+CH3COO]-	284.129221	194.8
[M+Na-2H]-	246.090036	154.3
[M]+	225.11482142	149.9
[M]-	225.11591858	149.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe