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

5
Patents

296.13248 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.139756 166.1
[M+Na]+ 319.121698 173.1
[M-H]- 295.125204 171.7
[M+NH4]+ 314.166303 178.5
[M+K]+ 335.095638 171.9
[M+H-H2O]+ 279.129740 156.4
[M+HCOO]- 341.130681 179.8
[M+CH3COO]- 355.146331 175.9
[M+Na-2H]- 317.107146 172.3
[M]+ 296.13193142 160.1
[M]- 296.13302858 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