CID 3041587

54436-06-5

Structural Information

Molecular Formula

C₂₀H₂₇N₃O₄

SMILES

CCOC(=O)C1=C(NC2=C1C3=C(C=C2)OCN(C3)CCN4CCOCC4)C

InChI

InChI=1S/C20H27N3O4/c1-3-26-20(24)18-14(2)21-16-4-5-17-15(19(16)18)12-23(13-27-17)7-6-22-8-10-25-11-9-22/h4-5,21H,3,6-13H2,1-2H3

InChIKey

FTPRONNMKYJRNV-UHFFFAOYSA-N

Compound name

ethyl 8-methyl-2-(2-morpholin-4-ylethyl)-3,7-dihydro-1H-pyrrolo[3,2-f][1,3]benzoxazine-9-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 373.20016 Da
Monoisotopic Mass: 2.0
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]+	374.207436	191.3
[M+Na]+	396.189378	196.7
[M-H]-	372.192884	194.6
[M+NH4]+	391.233983	199.4
[M+K]+	412.163318	193.8
[M+H-H2O]+	356.197420	181.2
[M+HCOO]-	418.198361	200.4
[M+CH3COO]-	432.214011	198.9
[M+Na-2H]-	394.174826	191.3
[M]+	373.19961142	191.5
[M]-	373.20070858	191.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.