CID 4344392

302914-10-9

Structural Information

Molecular Formula
C22H14BrCl3N2O
SMILES
C1C2C3=C(C=CC(=C3)Cl)OC(N2N=C1C4=CC=C(C=C4)Br)C5=C(C=C(C=C5)Cl)Cl
InChI
InChI=1S/C22H14BrCl3N2O/c23-13-3-1-12(2-4-13)19-11-20-17-9-14(24)6-8-21(17)29-22(28(20)27-19)16-7-5-15(25)10-18(16)26/h1-10,20,22H,11H2
InChIKey
RALRCIVMXGAXIC-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-9-chloro-5-(2,4-dichlorophenyl)-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 208.6
[M+Na]+ 528.92474 223.1
[M-H]- 504.92824 218.1
[M+NH4]+ 523.96934 221.0
[M+K]+ 544.89868 209.3
[M+H-H2O]+ 488.93278 205.9
[M+HCOO]- 550.93372 208.6
[M+CH3COO]- 564.94937 218.7
[M+Na-2H]- 526.91019 208.7
[M]+ 505.93497 230.2
[M]- 505.93607 230.2
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.