CID 241126

91568-38-6

Structural Information

Molecular Formula

C₁₂H₁₄N₄

SMILES

CC1=CC(=NC(=N1)N)N(C)C2=CC=CC=C2

InChI

InChI=1S/C12H14N4/c1-9-8-11(15-12(13)14-9)16(2)10-6-4-3-5-7-10/h3-8H,1-2H3,(H2,13,14,15)

InChIKey

RCBOYLZEXPANRT-UHFFFAOYSA-N

Compound name

4-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 214.12184 Da
Monoisotopic Mass: 2.3
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]+	215.12912	148.3
[M+Na]+	237.11106	156.2
[M-H]-	213.11456	153.6
[M+NH4]+	232.15566	164.1
[M+K]+	253.08500	153.1
[M+H-H2O]+	197.11910	139.0
[M+HCOO]-	259.12004	172.6
[M+CH3COO]-	273.13569	196.2
[M+Na-2H]-	235.09651	155.3
[M]+	214.12129	147.3
[M]-	214.12239	147.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe