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 162.8
[M+Na]+ 292.13079 169.0
[M-H]- 268.13429 169.0
[M+NH4]+ 287.17539 177.1
[M+K]+ 308.10473 166.5
[M+H-H2O]+ 252.13883 153.7
[M+HCOO]- 314.13977 180.1
[M+CH3COO]- 328.15542 173.9
[M+Na-2H]- 290.11624 168.3
[M]+ 269.14102 162.7
[M]- 269.14212 162.7
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