CID 3121910

303061-06-5

Structural Information

Molecular Formula
C23H18BrClN2O2
SMILES
COC1=CC=C(C=C1)C2=NN3C(C2)C4=C(C=CC(=C4)Br)OC3C5=CC=C(C=C5)Cl
InChI
InChI=1S/C23H18BrClN2O2/c1-28-18-9-4-14(5-10-18)20-13-21-19-12-16(24)6-11-22(19)29-23(27(21)26-20)15-2-7-17(25)8-3-15/h2-12,21,23H,13H2,1H3
InChIKey
HEBAGMRSQMHYQB-UHFFFAOYSA-N
Compound name
9-bromo-5-(4-chlorophenyl)-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

468.02402 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.03130 205.6
[M+Na]+ 491.01324 214.1
[M+NH4]+ 486.05784 211.2
[M+K]+ 506.98718 211.3
[M-H]- 467.01674 211.7
[M+Na-2H]- 488.99869 209.6
[M]+ 468.02347 208.1
[M]- 468.02457 208.1
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.