CID 5204897

303061-36-1

Structural Information

Molecular Formula
C23H17BrCl2N2O2
SMILES
COC1=CC=C(C=C1)C2=NN3C(C2)C4=C(C(=CC(=C4)Cl)Cl)OC3C5=CC=C(C=C5)Br
InChI
InChI=1S/C23H17BrCl2N2O2/c1-29-17-8-4-13(5-9-17)20-12-21-18-10-16(25)11-19(26)22(18)30-23(28(21)27-20)14-2-6-15(24)7-3-14/h2-11,21,23H,12H2,1H3
InChIKey
SBSYCHBZXCZDFQ-UHFFFAOYSA-N
Compound name
5-(4-bromophenyl)-7,9-dichloro-2-(4-methoxyphenyl)-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

501.98505 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.99233 212.0
[M+Na]+ 524.97427 221.4
[M+NH4]+ 520.01887 217.7
[M+K]+ 540.94821 217.7
[M-H]- 500.97777 217.9
[M+Na-2H]- 522.95972 215.5
[M]+ 501.98450 214.8
[M]- 501.98560 214.8
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.