CID 3121912

303061-03-2

Structural Information

Molecular Formula
C23H18Br2N2O2
SMILES
COC1=CC=C(C=C1)C2=NN3C(C2)C4=C(C=CC(=C4)Br)OC3C5=CC=C(C=C5)Br
InChI
InChI=1S/C23H18Br2N2O2/c1-28-18-9-4-14(5-10-18)20-13-21-19-12-17(25)8-11-22(19)29-23(27(21)26-20)15-2-6-16(24)7-3-15/h2-12,21,23H,13H2,1H3
InChIKey
ZVFWPFLFBXYOAU-UHFFFAOYSA-N
Compound name
9-bromo-5-(4-bromophenyl)-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

511.9735 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.98078 197.9
[M+Na]+ 534.96272 207.2
[M-H]- 510.96622 208.8
[M+NH4]+ 530.00732 209.7
[M+K]+ 550.93666 194.2
[M+H-H2O]+ 494.97076 204.4
[M+HCOO]- 556.97170 208.1
[M+CH3COO]- 570.98735 208.2
[M+Na-2H]- 532.94817 200.1
[M]+ 511.97295 232.5
[M]- 511.97405 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.