CID 3068967

1'-(2-hydroxy-2-phenylethyl)spiro(4h-3,1-benzoxazine-4,4'-piperidin)-2(1h)-one

Structural Information

Molecular Formula
C20H22N2O3
SMILES
C1CN(CCC12C3=CC=CC=C3NC(=O)O2)CC(C4=CC=CC=C4)O
InChI
InChI=1S/C20H22N2O3/c23-18(15-6-2-1-3-7-15)14-22-12-10-20(11-13-22)16-8-4-5-9-17(16)21-19(24)25-20/h1-9,18,23H,10-14H2,(H,21,24)
InChIKey
XFMHSPLNKLUOIO-UHFFFAOYSA-N
Compound name
1'-(2-hydroxy-2-phenylethyl)spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

338.16306 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.17034 181.4
[M+Na]+ 361.15228 185.4
[M-H]- 337.15578 184.7
[M+NH4]+ 356.19688 191.6
[M+K]+ 377.12622 180.6
[M+H-H2O]+ 321.16032 170.5
[M+HCOO]- 383.16126 190.5
[M+CH3COO]- 397.17691 188.6
[M+Na-2H]- 359.13773 185.3
[M]+ 338.16251 174.1
[M]- 338.16361 174.1
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