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 213.9
[M+Na]+ 540.96922 227.7
[M-H]- 516.97272 224.2
[M+NH4]+ 536.01382 225.2
[M+K]+ 556.94316 214.7
[M+H-H2O]+ 500.97726 211.5
[M+HCOO]- 562.97820 217.6
[M+CH3COO]- 576.99385 224.1
[M+Na-2H]- 538.95467 213.9
[M]+ 517.97945 237.4
[M]- 517.98055 237.4
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.