CID 162640825

2757254-99-0

Structural Information

Molecular Formula

C₁₅H₂₂N₆

SMILES

CC1CCN(CC1)C2=NC(=NC=C2)NCC3=CN(C=N3)C

InChI

InChI=1S/C15H22N6/c1-12-4-7-21(8-5-12)14-3-6-16-15(19-14)17-9-13-10-20(2)11-18-13/h3,6,10-12H,4-5,7-9H2,1-2H3,(H,16,17,19)

InChIKey

PWKAYICUBVNJAZ-UHFFFAOYSA-N

Compound name

N-[(1-methylimidazol-4-yl)methyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 254
Patents: 286.19058 Da
Monoisotopic Mass: 1.9
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]+	287.19786	170.5
[M+Na]+	309.17980	176.8
[M-H]-	285.18330	173.2
[M+NH4]+	304.22440	180.5
[M+K]+	325.15374	171.4
[M+H-H2O]+	269.18784	158.2
[M+HCOO]-	331.18878	186.5
[M+CH3COO]-	345.20443	179.4
[M+Na-2H]-	307.16525	172.7
[M]+	286.19003	166.8
[M]-	286.19113	166.8

Literature stripe

literature stripe

Patent stripe

patents stripe