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

4
Patents

299.15213 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.159406 170.7
[M+Na]+ 322.141348 177.5
[M-H]- 298.144854 177.0
[M+NH4]+ 317.185953 184.1
[M+K]+ 338.115288 175.0
[M+H-H2O]+ 282.149390 161.2
[M+HCOO]- 344.150331 188.9
[M+CH3COO]- 358.165981 204.6
[M+Na-2H]- 320.126796 176.2
[M]+ 299.15158142 173.4
[M]- 299.15267858 173.4
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