CID 3042055

Fs-184

Structural Information

Molecular Formula
C22H21NO2
SMILES
C1C2=C(C(=CC=C2)OC3=CC=CC=C3)OCN1CCC4=CC=CC=C4
InChI
InChI=1S/C22H21NO2/c1-3-8-18(9-4-1)14-15-23-16-19-10-7-13-21(22(19)24-17-23)25-20-11-5-2-6-12-20/h1-13H,14-17H2
InChIKey
BPDXEFDZTFBKOC-UHFFFAOYSA-N
Compound name
8-phenoxy-3-(2-phenylethyl)-2,4-dihydro-1,3-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.15723 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.16451 179.6
[M+Na]+ 354.14645 185.1
[M-H]- 330.14995 188.2
[M+NH4]+ 349.19105 190.6
[M+K]+ 370.12039 180.4
[M+H-H2O]+ 314.15449 168.3
[M+HCOO]- 376.15543 197.3
[M+CH3COO]- 390.17108 189.3
[M+Na-2H]- 352.13190 185.7
[M]+ 331.15668 178.8
[M]- 331.15778 178.8
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

No patent data available for this compound.