CID 4531356

303061-27-0

Structural Information

Molecular Formula
C23H18BrClN2O3
SMILES
COC1=CC=C(C=C1)C2=NN3C(C2)C4=C(C=CC(=C4)Cl)OC3C5=C(C=CC(=C5)Br)O
InChI
InChI=1S/C23H18BrClN2O3/c1-29-16-6-2-13(3-7-16)19-12-20-17-11-15(25)5-9-22(17)30-23(27(20)26-19)18-10-14(24)4-8-21(18)28/h2-11,20,23,28H,12H2,1H3
InChIKey
UIYHQXLOTCBVOF-UHFFFAOYSA-N
Compound name
4-bromo-2-[9-chloro-2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.01892 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.02620 209.9
[M+Na]+ 507.00814 217.8
[M+NH4]+ 502.05274 214.7
[M+K]+ 522.98208 215.8
[M-H]- 483.01164 215.2
[M+Na-2H]- 504.99359 212.7
[M]+ 484.01837 212.0
[M]- 484.01947 212.0
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.