CID 3333132

9-bromo-2-(naphthalen-2-yl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,1'-cyclohexane]

Structural Information

Molecular Formula
C25H23BrN2O
SMILES
C1CCC2(CC1)N3C(CC(=N3)C4=CC5=CC=CC=C5C=C4)C6=C(O2)C=CC(=C6)Br
InChI
InChI=1S/C25H23BrN2O/c26-20-10-11-24-21(15-20)23-16-22(19-9-8-17-6-2-3-7-18(17)14-19)27-28(23)25(29-24)12-4-1-5-13-25/h2-3,6-11,14-15,23H,1,4-5,12-13,16H2
InChIKey
KGVFHFPUOPVGQI-UHFFFAOYSA-N
Compound name
9-bromo-2-naphthalen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.09937 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.10665 206.4
[M+Na]+ 469.08859 215.5
[M-H]- 445.09209 216.6
[M+NH4]+ 464.13319 221.4
[M+K]+ 485.06253 203.4
[M+H-H2O]+ 429.09663 202.0
[M+HCOO]- 491.09757 215.5
[M+CH3COO]- 505.11322 215.7
[M+Na-2H]- 467.07404 209.1
[M]+ 446.09882 220.0
[M]- 446.09992 220.0
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.