CID 368430

Nsc639446

Structural Information

Molecular Formula
C18H18F2N2O2
SMILES
C1C2=C(C=CC(=C2)F)OCN1CCN3CC4=C(C=CC(=C4)F)OC3
InChI
InChI=1S/C18H18F2N2O2/c19-15-1-3-17-13(7-15)9-21(11-23-17)5-6-22-10-14-8-16(20)2-4-18(14)24-12-22/h1-4,7-8H,5-6,9-12H2
InChIKey
AFXAOJWPYIHGEZ-UHFFFAOYSA-N
Compound name
6-fluoro-3-[2-(6-fluoro-2,4-dihydro-1,3-benzoxazin-3-yl)ethyl]-2,4-dihydro-1,3-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.13364 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.14092 179.0
[M+Na]+ 355.12286 186.5
[M-H]- 331.12636 182.3
[M+NH4]+ 350.16746 189.0
[M+K]+ 371.09680 182.6
[M+H-H2O]+ 315.13090 166.2
[M+HCOO]- 377.13184 189.1
[M+CH3COO]- 391.14749 187.7
[M+Na-2H]- 353.10831 183.1
[M]+ 332.13309 175.3
[M]- 332.13419 175.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.