CID 504703

Chembl49014

Structural Information

Molecular Formula

C₁₈H₂₄N₄

SMILES

CCCN(CC1CC1)C2=NC(=CC(=N2)NC3=CC=CC=C3)C

InChI

InChI=1S/C18H24N4/c1-3-11-22(13-15-9-10-15)18-19-14(2)12-17(21-18)20-16-7-5-4-6-8-16/h4-8,12,15H,3,9-11,13H2,1-2H3,(H,19,20,21)

InChIKey

UPHJAMHCFGHFEK-UHFFFAOYSA-N

Compound name

2-N-(cyclopropylmethyl)-6-methyl-4-N-phenyl-2-N-propylpyrimidine-2,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 296.2001 Da
Monoisotopic Mass: 4.6
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]+	297.207376	173.4
[M+Na]+	319.189318	180.5
[M-H]-	295.192824	181.7
[M+NH4]+	314.233923	181.3
[M+K]+	335.163258	175.3
[M+H-H2O]+	279.197360	162.9
[M+HCOO]-	341.198301	197.2
[M+CH3COO]-	355.213951	215.1
[M+Na-2H]-	317.174766	178.4
[M]+	296.19955142	176.3
[M]-	296.20064858	176.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.