CID 3697188

2-bromo-9-(4-fluorophenyl)spiro[10ah-benzo[e]2-pyrazolino[1,5-c]1,3-oxazine-6, 1'-cyclopentane]

Structural Information

Molecular Formula
C20H18BrFN2O
SMILES
C1CCC2(C1)N3C(CC(=N3)C4=CC=C(C=C4)F)C5=C(O2)C=CC(=C5)Br
InChI
InChI=1S/C20H18BrFN2O/c21-14-5-8-19-16(11-14)18-12-17(13-3-6-15(22)7-4-13)23-24(18)20(25-19)9-1-2-10-20/h3-8,11,18H,1-2,9-10,12H2
InChIKey
RWVPDRATCYXWLK-UHFFFAOYSA-N
Compound name
9-bromo-2-(4-fluorophenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclopentane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.05865 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.06593 193.0
[M+Na]+ 423.04787 204.9
[M-H]- 399.05137 202.9
[M+NH4]+ 418.09247 211.7
[M+K]+ 439.02181 193.1
[M+H-H2O]+ 383.05591 190.8
[M+HCOO]- 445.05685 205.8
[M+CH3COO]- 459.07250 204.7
[M+Na-2H]- 421.03332 194.0
[M]+ 400.05810 208.5
[M]- 400.05920 208.5
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.