CID 3121919

303061-11-2

Structural Information

Molecular Formula
C23H17BrCl2N2O3
SMILES
COC1=CC=C(C=C1)C2=NN3C(C2)C4=C(C=CC(=C4)Br)OC3C5=C(C(=CC(=C5)Cl)Cl)O
InChI
InChI=1S/C23H17BrCl2N2O3/c1-30-15-5-2-12(3-6-15)19-11-20-16-8-13(24)4-7-21(16)31-23(28(20)27-19)17-9-14(25)10-18(26)22(17)29/h2-10,20,23,29H,11H2,1H3
InChIKey
HWSFNMLIXJHTLK-UHFFFAOYSA-N
Compound name
2-[9-bromo-2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]-4,6-dichlorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

517.98 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 518.98728 216.0
[M+Na]+ 540.96922 224.7
[M+NH4]+ 536.01382 220.8
[M+K]+ 556.94316 221.9
[M-H]- 516.97272 221.2
[M+Na-2H]- 538.95467 218.3
[M]+ 517.97945 218.4
[M]- 517.98055 218.4
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.