CID 2736211

3-(4,6-dimethoxypyrimidin-2-yl)aniline

Structural Information

Molecular Formula

C₁₂H₁₃N₃O₂

SMILES

COC1=CC(=NC(=N1)C2=CC(=CC=C2)N)OC

InChI

InChI=1S/C12H13N3O2/c1-16-10-7-11(17-2)15-12(14-10)8-4-3-5-9(13)6-8/h3-7H,13H2,1-2H3

InChIKey

YCGDDKMRPBCYRW-UHFFFAOYSA-N

Compound name

3-(4,6-dimethoxypyrimidin-2-yl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 97
Patents: 231.10077 Da
Monoisotopic Mass: 1.8
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]+	232.108046	151.1
[M+Na]+	254.089988	160.5
[M-H]-	230.093494	155.4
[M+NH4]+	249.134593	166.1
[M+K]+	270.063928	157.2
[M+H-H2O]+	214.098030	142.2
[M+HCOO]-	276.098971	174.3
[M+CH3COO]-	290.114621	193.2
[M+Na-2H]-	252.075436	157.5
[M]+	231.10022142	152.8
[M]-	231.10131858	152.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe