CID 135434896

Chembl160649

Structural Information

Molecular Formula

C₁₄H₁₃N₅O₂

SMILES

C1COCCN1C2=NC(=C(C(=O)N2)C#N)C3=CN=CC=C3

InChI

InChI=1S/C14H13N5O2/c15-8-11-12(10-2-1-3-16-9-10)17-14(18-13(11)20)19-4-6-21-7-5-19/h1-3,9H,4-7H2,(H,17,18,20)

InChIKey

AELMELAVHPOCAR-UHFFFAOYSA-N

Compound name

2-morpholin-4-yl-6-oxo-4-pyridin-3-yl-1H-pyrimidine-5-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 283.10693 Da
Monoisotopic Mass: -0.6
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]+	284.114206	162.0
[M+Na]+	306.096148	170.7
[M-H]-	282.099654	162.4
[M+NH4]+	301.140753	167.8
[M+K]+	322.070088	164.8
[M+H-H2O]+	266.104190	143.4
[M+HCOO]-	328.105131	172.3
[M+CH3COO]-	342.120781	169.4
[M+Na-2H]-	304.081596	166.3
[M]+	283.10638142	152.5
[M]-	283.10747858	152.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.