CID 3043278

Brn 1138515

Structural Information

Molecular Formula
C18H21NO3
SMILES
COC1=CC=C(C=C1)CCN2CC3=C(C(=CC=C3)OC)OC2
InChI
InChI=1S/C18H21NO3/c1-20-16-8-6-14(7-9-16)10-11-19-12-15-4-3-5-17(21-2)18(15)22-13-19/h3-9H,10-13H2,1-2H3
InChIKey
SROAUHQQRZECHA-UHFFFAOYSA-N
Compound name
8-methoxy-3-[2-(4-methoxyphenyl)ethyl]-2,4-dihydro-1,3-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

299.15213 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.15941 170.6
[M+Na]+ 322.14135 185.8
[M+NH4]+ 317.18595 179.1
[M+K]+ 338.11529 177.6
[M-H]- 298.14485 176.6
[M+Na-2H]- 320.12680 177.9
[M]+ 299.15158 174.6
[M]- 299.15268 174.6
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