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 170.7
[M+Na]+ 322.14135 177.5
[M-H]- 298.14485 177.0
[M+NH4]+ 317.18595 184.1
[M+K]+ 338.11529 175.0
[M+H-H2O]+ 282.14939 161.2
[M+HCOO]- 344.15033 188.9
[M+CH3COO]- 358.16598 204.6
[M+Na-2H]- 320.12680 176.2
[M]+ 299.15158 173.4
[M]- 299.15268 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