CID 30811

4-(1-benzyl-3-pyrrolidinyl)-2h-1,4-benzoxazin-3(4h)-one

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

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References

0
Patents

308.15247 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.15975 173.9
[M+Na]+ 331.14169 188.3
[M+NH4]+ 326.18629 182.5
[M+K]+ 347.11563 181.9
[M-H]- 307.14519 180.8
[M+Na-2H]- 329.12714 181.1
[M]+ 308.15192 177.9
[M]- 308.15302 177.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.