CID 3042058

Fs-155

Structural Information

Molecular Formula
C19H21NO3
SMILES
CC(=O)C1=CC2=C(C(=C1)OC)OCN(C2)CCC3=CC=CC=C3
InChI
InChI=1S/C19H21NO3/c1-14(21)16-10-17-12-20(9-8-15-6-4-3-5-7-15)13-23-19(17)18(11-16)22-2/h3-7,10-11H,8-9,12-13H2,1-2H3
InChIKey
LAFXDEBMGFRAQV-UHFFFAOYSA-N
Compound name
1-[8-methoxy-3-(2-phenylethyl)-2,4-dihydro-1,3-benzoxazin-6-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

311.15213 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.159406 174.2
[M+Na]+ 334.141348 180.6
[M-H]- 310.144854 180.4
[M+NH4]+ 329.185953 186.9
[M+K]+ 350.115288 177.8
[M+H-H2O]+ 294.149390 164.8
[M+HCOO]- 356.150331 191.2
[M+CH3COO]- 370.165981 207.7
[M+Na-2H]- 332.126796 178.0
[M]+ 311.15158142 176.0
[M]- 311.15267858 176.0
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