CID 13203533

88809-69-2

Structural Information

Molecular Formula

C₂₁H₂₅N₃O₃

SMILES

CC1(C(=O)N(C2=C(O1)C=CC=N2)C(CN3CCOCC3)C4=CC=CC=C4)C

InChI

InChI=1S/C21H25N3O3/c1-21(2)20(25)24(19-18(27-21)9-6-10-22-19)17(16-7-4-3-5-8-16)15-23-11-13-26-14-12-23/h3-10,17H,11-15H2,1-2H3

InChIKey

FWZNBAVFZJYMEW-UHFFFAOYSA-N

Compound name

2,2-dimethyl-4-(2-morpholin-4-yl-1-phenylethyl)pyrido[3,2-b][1,4]oxazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 367.1896 Da
Monoisotopic Mass: 2.1
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]+	368.196876	191.6
[M+Na]+	390.178818	196.4
[M-H]-	366.182324	197.8
[M+NH4]+	385.223423	198.8
[M+K]+	406.152758	194.0
[M+H-H2O]+	350.186860	178.8
[M+HCOO]-	412.187801	200.9
[M+CH3COO]-	426.203451	199.1
[M+Na-2H]-	388.164266	194.5
[M]+	367.18905142	188.7
[M]-	367.19014858	188.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.