CID 3045378

Lodinixil

Structural Information

Molecular Formula

C₁₄H₁₇ClN₄

SMILES

CC1=C(C(=CC=C1)NC2=CC(=NC(=N2)N(C)C)Cl)C

InChI

InChI=1S/C14H17ClN4/c1-9-6-5-7-11(10(9)2)16-13-8-12(15)17-14(18-13)19(3)4/h5-8H,1-4H3,(H,16,17,18)

InChIKey

GMMWNTHAIOJBSD-UHFFFAOYSA-N

Compound name

6-chloro-4-N-(2,3-dimethylphenyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 1874
Patents: 276.11417 Da
Monoisotopic Mass: 4.2
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]+	277.121446	164.4
[M+Na]+	299.103388	174.0
[M-H]-	275.106894	170.3
[M+NH4]+	294.147993	179.4
[M+K]+	315.077328	169.1
[M+H-H2O]+	259.111430	155.6
[M+HCOO]-	321.112371	184.0
[M+CH3COO]-	335.128021	208.8
[M+Na-2H]-	297.088836	169.2
[M]+	276.11362142	168.1
[M]-	276.11471858	168.1

Literature stripe

literature stripe

Patent stripe

patents stripe