CID 3509634

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

Structural Information

Molecular Formula
C25H22Cl2N2O
SMILES
C1CCC2(CC1)N3C(CC(=N3)C4=CC5=CC=CC=C5C=C4)C6=C(O2)C(=CC(=C6)Cl)Cl
InChI
InChI=1S/C25H22Cl2N2O/c26-19-13-20-23-15-22(18-9-8-16-6-2-3-7-17(16)12-18)28-29(23)25(10-4-1-5-11-25)30-24(20)21(27)14-19/h2-3,6-9,12-14,23H,1,4-5,10-11,15H2
InChIKey
CCOYJWMHPDOPRE-UHFFFAOYSA-N
Compound name
7,9-dichloro-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

436.11093 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.11821 204.0
[M+Na]+ 459.10015 222.7
[M+NH4]+ 454.14475 216.5
[M+K]+ 475.07409 210.4
[M-H]- 435.10365 212.8
[M+Na-2H]- 457.08560 211.5
[M]+ 436.11038 210.4
[M]- 436.11148 210.4
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.