CID 3042059

Fs-2

Structural Information

Molecular Formula
C17H19NO2
SMILES
CC(C1=CC=CC=C1)N2CC3=C(C(=CC=C3)OC)OC2
InChI
InChI=1S/C17H19NO2/c1-13(14-7-4-3-5-8-14)18-11-15-9-6-10-16(19-2)17(15)20-12-18/h3-10,13H,11-12H2,1-2H3
InChIKey
CTKOKSZTCSYSMC-UHFFFAOYSA-N
Compound name
8-methoxy-3-(1-phenylethyl)-2,4-dihydro-1,3-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

269.14157 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.14885 162.7
[M+Na]+ 292.13079 177.9
[M+NH4]+ 287.17539 171.9
[M+K]+ 308.10473 170.0
[M-H]- 268.13429 169.0
[M+Na-2H]- 290.11624 170.6
[M]+ 269.14102 166.8
[M]- 269.14212 166.8
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