CID 4657500

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

Structural Information

Molecular Formula
C24H21BrN2O
SMILES
C1CCC2(C1)N3C(CC(=N3)C4=CC5=CC=CC=C5C=C4)C6=C(O2)C=CC(=C6)Br
InChI
InChI=1S/C24H21BrN2O/c25-19-9-10-23-20(14-19)22-15-21(26-27(22)24(28-23)11-3-4-12-24)18-8-7-16-5-1-2-6-17(16)13-18/h1-2,5-10,13-14,22H,3-4,11-12,15H2
InChIKey
IBGHFIKHBLJQFH-UHFFFAOYSA-N
Compound name
9-bromo-2-naphthalen-2-ylspiro[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

432.08374 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.09102 202.8
[M+Na]+ 455.07296 213.7
[M-H]- 431.07646 214.3
[M+NH4]+ 450.11756 220.6
[M+K]+ 471.04690 201.8
[M+H-H2O]+ 415.08100 200.3
[M+HCOO]- 477.08194 214.8
[M+CH3COO]- 491.09759 213.6
[M+Na-2H]- 453.05841 204.0
[M]+ 432.08319 218.6
[M]- 432.08429 218.6
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.