CID 3042504

Brn 0913503

Structural Information

Molecular Formula

C₁₄H₁₉N₃

SMILES

CC1=CC(N=C(N1C)NC2=CC=CC=C2)(C)C

InChI

InChI=1S/C14H19N3/c1-11-10-14(2,3)16-13(17(11)4)15-12-8-6-5-7-9-12/h5-10H,1-4H3,(H,15,16)

InChIKey

WDFLSTKXGBDKTC-UHFFFAOYSA-N

Compound name

1,4,4,6-tetramethyl-N-phenylpyrimidin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 229.1579 Da
Monoisotopic Mass: 2.2
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]+	230.165176	153.7
[M+Na]+	252.147118	162.5
[M-H]-	228.150624	158.3
[M+NH4]+	247.191723	171.4
[M+K]+	268.121058	158.7
[M+H-H2O]+	212.155160	145.5
[M+HCOO]-	274.156101	175.2
[M+CH3COO]-	288.171751	194.8
[M+Na-2H]-	250.132566	160.3
[M]+	229.15735142	153.2
[M]-	229.15844858	153.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.