CID 135416215

50427-08-2

Structural Information

Molecular Formula

C₁₁H₁₁N₃O

SMILES

CC1=CC(=O)NC(=N1)NC2=CC=CC=C2

InChI

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

InChIKey

ZQASUEBEKLHMME-UHFFFAOYSA-N

Compound name

2-anilino-4-methyl-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 5
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	143.0
[M+Na]+	224.07943	157.6
[M+NH4]+	219.12403	150.7
[M+K]+	240.05337	150.5
[M-H]-	200.08293	146.6
[M+Na-2H]-	222.06488	152.6
[M]+	201.08966	146.0
[M]-	201.09076	146.0

Literature stripe

literature stripe

Patent stripe

patents stripe