CID 4252074

303107-13-3

Structural Information

Molecular Formula
C22H14BrCl3N2O
SMILES
C1C2C3=C(C(=CC(=C3)Cl)Cl)OC(N2N=C1C4=CC=C(C=C4)Br)C5=CC=CC=C5Cl
InChI
InChI=1S/C22H14BrCl3N2O/c23-13-7-5-12(6-8-13)19-11-20-16-9-14(24)10-18(26)21(16)29-22(28(20)27-19)15-3-1-2-4-17(15)25/h1-10,20,22H,11H2
InChIKey
UCCLLXDKFGOHJC-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-7,9-dichloro-5-(2-chlorophenyl)-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

505.93552 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 506.94280 210.9
[M+Na]+ 528.92474 221.1
[M+NH4]+ 523.96934 217.0
[M+K]+ 544.89868 216.3
[M-H]- 504.92824 216.6
[M+Na-2H]- 526.91019 214.6
[M]+ 505.93497 214.1
[M]- 505.93607 214.1
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.