CID 496421

Nsc688892

Structural Information

Molecular Formula
C19H21NO3
SMILES
CC1C(COC(=O)N1CC2=CC=CC=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C19H21NO3/c1-15-18(22-13-17-10-6-3-7-11-17)14-23-19(21)20(15)12-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3
InChIKey
OHLOLCSBCYGKMN-UHFFFAOYSA-N
Compound name
3-benzyl-4-methyl-5-phenylmethoxy-1,3-oxazinan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.15213 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.15941 174.3
[M+Na]+ 334.14135 179.9
[M-H]- 310.14485 182.5
[M+NH4]+ 329.18595 185.7
[M+K]+ 350.11529 176.8
[M+H-H2O]+ 294.14939 164.1
[M+HCOO]- 356.15033 192.5
[M+CH3COO]- 370.16598 205.5
[M+Na-2H]- 332.12680 177.6
[M]+ 311.15158 173.9
[M]- 311.15268 173.9
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

No patent data available for this compound.