CID 135399149

3552-64-5

Structural Information

Molecular Formula

C₁₃H₁₅N₃O₂

SMILES

C1COCCN1CC2=NC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C13H15N3O2/c17-13-10-3-1-2-4-11(10)14-12(15-13)9-16-5-7-18-8-6-16/h1-4H,5-9H2,(H,14,15,17)

InChIKey

RXDXFLNNVDAKDC-UHFFFAOYSA-N

Compound name

2-(morpholin-4-ylmethyl)-3H-quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 22
Patents: 245.11642 Da
Monoisotopic Mass: 0.4
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]+	246.12370	155.5
[M+Na]+	268.10564	162.7
[M-H]-	244.10914	157.6
[M+NH4]+	263.15024	167.3
[M+K]+	284.07958	158.7
[M+H-H2O]+	228.11368	145.5
[M+HCOO]-	290.11462	169.7
[M+CH3COO]-	304.13027	165.7
[M+Na-2H]-	266.09109	162.7
[M]+	245.11587	151.8
[M]-	245.11697	151.8

Literature stripe

literature stripe

Patent stripe

patents stripe