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

0
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 173.0
[M+Na]+ 331.14169 178.9
[M-H]- 307.14519 180.6
[M+NH4]+ 326.18629 185.7
[M+K]+ 347.11563 174.5
[M+H-H2O]+ 291.14973 162.7
[M+HCOO]- 353.15067 188.7
[M+CH3COO]- 367.16632 183.0
[M+Na-2H]- 329.12714 174.8
[M]+ 308.15192 169.7
[M]- 308.15302 169.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe