CID 3121767

332060-73-8

Structural Information

Molecular Formula
C22H15Br2ClN2O
SMILES
C1C2C3=C(C=CC(=C3)Br)OC(N2N=C1C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Br
InChI
InChI=1S/C22H15Br2ClN2O/c23-15-5-1-14(2-6-15)22-27-20(18-11-16(24)7-10-21(18)28-22)12-19(26-27)13-3-8-17(25)9-4-13/h1-11,20,22H,12H2
InChIKey
XAYVVPWIBLNKNE-UHFFFAOYSA-N
Compound name
9-bromo-5-(4-bromophenyl)-2-(4-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

515.92395 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 516.93123 197.3
[M+Na]+ 538.91317 208.5
[M-H]- 514.91667 208.3
[M+NH4]+ 533.95777 210.0
[M+K]+ 554.88711 193.8
[M+H-H2O]+ 498.92121 204.3
[M+HCOO]- 560.92215 204.1
[M+CH3COO]- 574.93780 208.0
[M+Na-2H]- 536.89862 199.7
[M]+ 515.92340 232.5
[M]- 515.92450 232.5
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.