CID 3121906

[9-bromo-2-(4-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl](4-bromophenyl)methanone

Structural Information

Molecular Formula
C24H18Br2N2O3
SMILES
COC1=CC=C(C=C1)C2=NN3C(C2)C4=C(C=CC(=C4)Br)OC3C(=O)C5=CC=C(C=C5)Br
InChI
InChI=1S/C24H18Br2N2O3/c1-30-18-9-4-14(5-10-18)20-13-21-19-12-17(26)8-11-22(19)31-24(28(21)27-20)23(29)15-2-6-16(25)7-3-15/h2-12,21,24H,13H2,1H3
InChIKey
RLNYSYVSSQAKSJ-UHFFFAOYSA-N
Compound name
[9-bromo-2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]-(4-bromophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

539.96844 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 540.97572 202.8
[M+Na]+ 562.95766 211.2
[M-H]- 538.96116 213.6
[M+NH4]+ 558.00226 213.3
[M+K]+ 578.93160 198.7
[M+H-H2O]+ 522.96570 209.1
[M+HCOO]- 584.96664 212.1
[M+CH3COO]- 598.98229 212.5
[M+Na-2H]- 560.94311 203.9
[M]+ 539.96789 237.6
[M]- 539.96899 237.6
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.