CID 3789912

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

Structural Information

Molecular Formula
C20H18BrClN2O
SMILES
C1CCC2(C1)N3C(CC(=N3)C4=CC=C(C=C4)Cl)C5=C(O2)C=CC(=C5)Br
InChI
InChI=1S/C20H18BrClN2O/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
JOGJKGYXJNOUMK-UHFFFAOYSA-N
Compound name
9-bromo-2-(4-chlorophenyl)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

416.0291 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.03638 195.4
[M+Na]+ 439.01832 208.2
[M-H]- 415.02182 206.2
[M+NH4]+ 434.06292 214.3
[M+K]+ 454.99226 195.5
[M+H-H2O]+ 399.02636 194.1
[M+HCOO]- 461.02730 204.7
[M+CH3COO]- 475.04295 207.3
[M+Na-2H]- 437.00377 196.6
[M]+ 416.02855 213.7
[M]- 416.02965 213.7
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.