CID 3258327

303059-78-1

Structural Information

Molecular Formula
C26H24Cl2N2O
SMILES
C1CCC(CC1)C2N3C(CC(=N3)C4=CC5=CC=CC=C5C=C4)C6=C(O2)C(=CC(=C6)Cl)Cl
InChI
InChI=1S/C26H24Cl2N2O/c27-20-13-21-24-15-23(19-11-10-16-6-4-5-9-18(16)12-19)29-30(24)26(17-7-2-1-3-8-17)31-25(21)22(28)14-20/h4-6,9-14,17,24,26H,1-3,7-8,15H2
InChIKey
GEENFNFPCNHBDI-UHFFFAOYSA-N
Compound name
7,9-dichloro-5-cyclohexyl-2-naphthalen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.12656 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.13384 208.6
[M+Na]+ 473.11578 227.3
[M+NH4]+ 468.16038 219.4
[M+K]+ 489.08972 216.6
[M-H]- 449.11928 217.9
[M+Na-2H]- 471.10123 215.0
[M]+ 450.12601 214.9
[M]- 450.12711 214.9
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.