CID 3043279

Brn 1131522

Structural Information

Molecular Formula
C19H23NO2
SMILES
CCCOC1=CC=CC2=C1OCN(C2)CCC3=CC=CC=C3
InChI
InChI=1S/C19H23NO2/c1-2-13-21-18-10-6-9-17-14-20(15-22-19(17)18)12-11-16-7-4-3-5-8-16/h3-10H,2,11-15H2,1H3
InChIKey
VBKTZVWPGYALFU-UHFFFAOYSA-N
Compound name
3-(2-phenylethyl)-8-propoxy-2,4-dihydro-1,3-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

297.17288 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.18016 171.9
[M+Na]+ 320.16210 177.5
[M-H]- 296.16560 177.5
[M+NH4]+ 315.20670 185.1
[M+K]+ 336.13604 174.0
[M+H-H2O]+ 280.17014 162.2
[M+HCOO]- 342.17108 189.5
[M+CH3COO]- 356.18673 182.1
[M+Na-2H]- 318.14755 177.4
[M]+ 297.17233 173.0
[M]- 297.17343 173.0
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