CID 4463217

7,9-dichloro-2-(naphthalen-2-yl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,1'-cyclopentane]

Structural Information

Molecular Formula
C24H20Cl2N2O
SMILES
C1CCC2(C1)N3C(CC(=N3)C4=CC5=CC=CC=C5C=C4)C6=C(O2)C(=CC(=C6)Cl)Cl
InChI
InChI=1S/C24H20Cl2N2O/c25-18-12-19-22-14-21(17-8-7-15-5-1-2-6-16(15)11-17)27-28(22)24(9-3-4-10-24)29-23(19)20(26)13-18/h1-2,5-8,11-13,22H,3-4,9-10,14H2
InChIKey
LIJKRHBQMNUOKK-UHFFFAOYSA-N
Compound name
7,9-dichloro-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

422.09528 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.10256 202.7
[M+Na]+ 445.08450 213.4
[M-H]- 421.08800 210.9
[M+NH4]+ 440.12910 218.6
[M+K]+ 461.05844 204.7
[M+H-H2O]+ 405.09254 192.1
[M+HCOO]- 467.09348 206.5
[M+CH3COO]- 481.10913 211.4
[M+Na-2H]- 443.06995 201.2
[M]+ 422.09473 203.9
[M]- 422.09583 203.9
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.