CID 3055431

72418-34-9

Structural Information

Molecular Formula

C₂₀H₂₇N₅O₂

SMILES

CN(C)C1=NC=C(C(=N1)OC)C(=O)NC2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H27N5O2/c1-24(2)20-21-13-17(19(23-20)27-3)18(26)22-16-9-11-25(12-10-16)14-15-7-5-4-6-8-15/h4-8,13,16H,9-12,14H2,1-3H3,(H,22,26)

InChIKey

DJAPWPSBMJUJNT-UHFFFAOYSA-N

Compound name

N-(1-benzylpiperidin-4-yl)-2-(dimethylamino)-4-methoxypyrimidine-5-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 369.21646 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]+	370.223736	190.5
[M+Na]+	392.205678	193.5
[M-H]-	368.209184	196.4
[M+NH4]+	387.250283	197.8
[M+K]+	408.179618	189.9
[M+H-H2O]+	352.213720	177.8
[M+HCOO]-	414.214661	207.8
[M+CH3COO]-	428.230311	225.3
[M+Na-2H]-	390.191126	192.3
[M]+	369.21591142	188.6
[M]-	369.21700858	188.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.