CID 379871

1'-benzylspiro[1,3-benzoxazine-2,4'-piperidin]-4(3h)-one

Structural Information

Molecular Formula
C19H20N2O2
SMILES
C1CN(CCC12NC(=O)C3=CC=CC=C3O2)CC4=CC=CC=C4
InChI
InChI=1S/C19H20N2O2/c22-18-16-8-4-5-9-17(16)23-19(20-18)10-12-21(13-11-19)14-15-6-2-1-3-7-15/h1-9H,10-14H2,(H,20,22)
InChIKey
NMFAHOKVZJFMHP-UHFFFAOYSA-N
Compound name
1'-benzylspiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

2
Patents

308.15247 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.159746 174.2
[M+Na]+ 331.141688 179.7
[M-H]- 307.145194 179.1
[M+NH4]+ 326.186293 186.5
[M+K]+ 347.115628 174.5
[M+H-H2O]+ 291.149730 163.0
[M+HCOO]- 353.150671 186.0
[M+CH3COO]- 367.166321 182.8
[M+Na-2H]- 329.127136 179.9
[M]+ 308.15192142 167.4
[M]- 308.15301858 167.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe