CID 2735370

263276-44-4

Structural Information

Molecular Formula

C₁₁H₁₁N₃

SMILES

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

InChI

InChI=1S/C11H11N3/c1-8-2-4-9(5-3-8)10-6-7-13-11(12)14-10/h2-7H,1H3,(H2,12,13,14)

InChIKey

SEAVIOKUWQLSPU-UHFFFAOYSA-N

Compound name

4-(4-methylphenyl)pyrimidin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 185.09529 Da
Monoisotopic Mass: 1.9
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]+	186.10257	139.8
[M+Na]+	208.08451	155.1
[M+NH4]+	203.12911	148.6
[M+K]+	224.05845	147.6
[M-H]-	184.08801	144.5
[M+Na-2H]-	206.06996	150.2
[M]+	185.09474	143.4
[M]-	185.09584	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe