CID 3055407

Brn 0836990

Structural Information

Molecular Formula

C₁₉H₂₅N₅O₂

SMILES

CNC1=NC=C(C(=N1)OC)C(=O)NC2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H25N5O2/c1-20-19-21-12-16(18(23-19)26-2)17(25)22-15-8-10-24(11-9-15)13-14-6-4-3-5-7-14/h3-7,12,15H,8-11,13H2,1-2H3,(H,22,25)(H,20,21,23)

InChIKey

AJDBNAMXYHPCQL-UHFFFAOYSA-N

Compound name

N-(1-benzylpiperidin-4-yl)-4-methoxy-2-(methylamino)pyrimidine-5-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 355.20084 Da
Monoisotopic Mass: 2.2
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]+	356.208116	186.0
[M+Na]+	378.190058	189.4
[M-H]-	354.193564	190.7
[M+NH4]+	373.234663	193.3
[M+K]+	394.163998	184.6
[M+H-H2O]+	338.198100	173.7
[M+HCOO]-	400.199041	203.2
[M+CH3COO]-	414.214691	219.2
[M+Na-2H]-	376.175506	189.1
[M]+	355.20029142	182.6
[M]-	355.20138858	182.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.