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]+ 339.170336 181.4
[M+Na]+ 361.152278 185.4
[M-H]- 337.155784 184.7
[M+NH4]+ 356.196883 191.6
[M+K]+ 377.126218 180.6
[M+H-H2O]+ 321.160320 170.5
[M+HCOO]- 383.161261 190.5
[M+CH3COO]- 397.176911 188.6
[M+Na-2H]- 359.137726 185.3
[M]+ 338.16251142 174.1
[M]- 338.16360858 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