CID 686334

10244-24-3

Structural Information

Molecular Formula

C₁₂H₁₇ClN₄O₂

SMILES

C1COCCN1C2=CC(=NC(=N2)N3CCOCC3)Cl

InChI

InChI=1S/C12H17ClN4O2/c13-10-9-11(16-1-5-18-6-2-16)15-12(14-10)17-3-7-19-8-4-17/h9H,1-8H2

InChIKey

KIWUTYCMQNZUPX-UHFFFAOYSA-N

Compound name

4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 211
Patents: 284.104 Da
Monoisotopic Mass: 1.3
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]+	285.111276	167.1
[M+Na]+	307.093218	172.1
[M-H]-	283.096724	170.5
[M+NH4]+	302.137823	174.2
[M+K]+	323.067158	169.8
[M+H-H2O]+	267.101260	154.9
[M+HCOO]-	329.102201	172.7
[M+CH3COO]-	343.117851	175.3
[M+Na-2H]-	305.078666	170.7
[M]+	284.10345142	162.6
[M]-	284.10454858	162.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe