CID 4595031

7,9-dichloro-2-(naphthalen-2-yl)-1'-propyl-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidine]

Structural Information

Molecular Formula
C27H27Cl2N3O
SMILES
CCCN1CCC2(CC1)N3C(CC(=N3)C4=CC5=CC=CC=C5C=C4)C6=C(O2)C(=CC(=C6)Cl)Cl
InChI
InChI=1S/C27H27Cl2N3O/c1-2-11-31-12-9-27(10-13-31)32-25(22-15-21(28)16-23(29)26(22)33-27)17-24(30-32)20-8-7-18-5-3-4-6-19(18)14-20/h3-8,14-16,25H,2,9-13,17H2,1H3
InChIKey
CKVYSNFCVIVVSY-UHFFFAOYSA-N
Compound name
7,9-dichloro-2-naphthalen-2-yl-1'-propylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.1531 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.16038 217.4
[M+Na]+ 502.14232 235.7
[M+NH4]+ 497.18692 228.6
[M+K]+ 518.11626 223.4
[M-H]- 478.14582 225.3
[M+Na-2H]- 500.12777 223.5
[M]+ 479.15255 223.4
[M]- 479.15365 223.4
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.