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]+ 312.15941 174.2
[M+Na]+ 334.14135 180.6
[M-H]- 310.14485 180.4
[M+NH4]+ 329.18595 186.9
[M+K]+ 350.11529 177.8
[M+H-H2O]+ 294.14939 164.8
[M+HCOO]- 356.15033 191.2
[M+CH3COO]- 370.16598 207.7
[M+Na-2H]- 332.12680 178.0
[M]+ 311.15158 176.0
[M]- 311.15268 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