CID 135400109

23902-05-8

Structural Information

Molecular Formula

C₁₂H₁₇N₃O₂

SMILES

C1CCC2=C(C1)C(=O)NC(=N2)N3CCOCC3

InChI

InChI=1S/C12H17N3O2/c16-11-9-3-1-2-4-10(9)13-12(14-11)15-5-7-17-8-6-15/h1-8H2,(H,13,14,16)

InChIKey

CLIVREAVSUMDBB-UHFFFAOYSA-N

Compound name

2-morpholin-4-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 9
Patents: 235.13208 Da
Monoisotopic Mass: 0.1
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]+	236.13936	154.5
[M+Na]+	258.12130	167.2
[M+NH4]+	253.16590	162.0
[M+K]+	274.09524	161.0
[M-H]-	234.12480	158.0
[M+Na-2H]-	256.10675	159.5
[M]+	235.13153	157.1
[M]-	235.13263	157.1

Literature stripe

literature stripe

Patent stripe

patents stripe