CID 3058320

75017-27-5

Structural Information

Molecular Formula
C18H17FN2O
SMILES
C1COCC2N1C3=C(C=C(C=C3)F)C(=NC2)C4=CC=CC=C4
InChI
InChI=1S/C18H17FN2O/c19-14-6-7-17-16(10-14)18(13-4-2-1-3-5-13)20-11-15-12-22-9-8-21(15)17/h1-7,10,15H,8-9,11-12H2
InChIKey
UVNIHPSOPPMBDM-UHFFFAOYSA-N
Compound name
9-fluoro-7-phenyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,4]benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

296.13248 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.13976 166.1
[M+Na]+ 319.12170 173.1
[M-H]- 295.12520 171.7
[M+NH4]+ 314.16630 178.5
[M+K]+ 335.09564 171.9
[M+H-H2O]+ 279.12974 156.4
[M+HCOO]- 341.13068 179.8
[M+CH3COO]- 355.14633 175.9
[M+Na-2H]- 317.10715 172.3
[M]+ 296.13193 160.1
[M]- 296.13303 160.1
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