CID 2761111

N-(4,6-dimethylpyrimidin-2-yl)-n-ethylbenzene-1,4-diamine

Structural Information

Molecular Formula

C₁₄H₁₈N₄

SMILES

CCN(C1=CC=C(C=C1)N)C2=NC(=CC(=N2)C)C

InChI

InChI=1S/C14H18N4/c1-4-18(13-7-5-12(15)6-8-13)14-16-10(2)9-11(3)17-14/h5-9H,4,15H2,1-3H3

InChIKey

HVCMPZYQDQNWBN-UHFFFAOYSA-N

Compound name

4-N-(4,6-dimethylpyrimidin-2-yl)-4-N-ethylbenzene-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 242.15315 Da
Monoisotopic Mass: 2.7
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]+	243.160426	157.9
[M+Na]+	265.142368	165.9
[M-H]-	241.145874	163.3
[M+NH4]+	260.186973	172.9
[M+K]+	281.116308	162.3
[M+H-H2O]+	225.150410	148.4
[M+HCOO]-	287.151351	181.5
[M+CH3COO]-	301.167001	203.4
[M+Na-2H]-	263.127816	163.0
[M]+	242.15260142	158.0
[M]-	242.15369858	158.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe