CID 30811

21787-45-1

Structural Information

Molecular Formula

C₁₉H₂₀N₂O₂

SMILES

C1CN(CC1N2C(=O)COC3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C19H20N2O2/c22-19-14-23-18-9-5-4-8-17(18)21(19)16-10-11-20(13-16)12-15-6-2-1-3-7-15/h1-9,16H,10-14H2

InChIKey

YSVLRHDPAPVJTE-UHFFFAOYSA-N

Compound name

4-(1-benzylpyrrolidin-3-yl)-1,4-benzoxazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 308.15247 Da
Monoisotopic Mass: 2.8
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]+	309.159746	173.0
[M+Na]+	331.141688	178.9
[M-H]-	307.145194	180.6
[M+NH4]+	326.186293	185.7
[M+K]+	347.115628	174.5
[M+H-H2O]+	291.149730	162.7
[M+HCOO]-	353.150671	188.7
[M+CH3COO]-	367.166321	183.0
[M+Na-2H]-	329.127136	174.8
[M]+	308.15192142	169.7
[M]-	308.15301858	169.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe