CID 3684669

2-(4-bromophenyl)-7,9-dichloro-5-(4-methylphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

Structural Information

Molecular Formula
C23H17BrCl2N2O
SMILES
CC1=CC=C(C=C1)C2N3C(CC(=N3)C4=CC=C(C=C4)Br)C5=C(O2)C(=CC(=C5)Cl)Cl
InChI
InChI=1S/C23H17BrCl2N2O/c1-13-2-4-15(5-3-13)23-28-21(18-10-17(25)11-19(26)22(18)29-23)12-20(27-28)14-6-8-16(24)9-7-14/h2-11,21,23H,12H2,1H3
InChIKey
AOVHEPBYWCROJX-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-7,9-dichloro-5-(4-methylphenyl)-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

485.99014 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.99742 209.0
[M+Na]+ 508.97936 218.8
[M+NH4]+ 504.02396 215.2
[M+K]+ 524.95330 214.7
[M-H]- 484.98286 215.3
[M+Na-2H]- 506.96481 212.9
[M]+ 485.98959 212.1
[M]- 485.99069 212.1
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.