CID 4086822

9-bromo-2-(4-fluorophenyl)-5',5'-dimethyl-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,1'-cyclohex[2]en]-3'-ol

Structural Information

Molecular Formula
C23H22BrFN2O2
SMILES
CC1(CC(=CC2(C1)N3C(CC(=N3)C4=CC=C(C=C4)F)C5=C(O2)C=CC(=C5)Br)O)C
InChI
InChI=1S/C23H22BrFN2O2/c1-22(2)11-17(28)12-23(13-22)27-20(18-9-15(24)5-8-21(18)29-23)10-19(26-27)14-3-6-16(25)7-4-14/h3-9,12,20,28H,10-11,13H2,1-2H3
InChIKey
PRHICMFHGQFLPI-UHFFFAOYSA-N
Compound name
9-bromo-2-(4-fluorophenyl)-5',5'-dimethylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-cyclohexene]-1'-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.08487 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.09215 208.6
[M+Na]+ 479.07409 213.2
[M+NH4]+ 474.11869 215.3
[M+K]+ 495.04803 209.0
[M-H]- 455.07759 211.8
[M+Na-2H]- 477.05954 211.2
[M]+ 456.08432 209.5
[M]- 456.08542 209.5
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.