CID 3562262

303060-93-7

Structural Information

Molecular Formula
C23H19BrN2O3
SMILES
COC1=CC=C(C=C1)C2=NN3C(C2)C4=C(C=CC(=C4)Br)OC3C5=CC=CC=C5O
InChI
InChI=1S/C23H19BrN2O3/c1-28-16-9-6-14(7-10-16)19-13-20-18-12-15(24)8-11-22(18)29-23(26(20)25-19)17-4-2-3-5-21(17)27/h2-12,20,23,27H,13H2,1H3
InChIKey
QTJLUVSQPXYBGQ-UHFFFAOYSA-N
Compound name
2-[9-bromo-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

450.05792 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.06520 202.9
[M+Na]+ 473.04714 209.6
[M+NH4]+ 468.09174 207.4
[M+K]+ 489.02108 208.5
[M-H]- 449.05064 208.1
[M+Na-2H]- 471.03259 205.9
[M]+ 450.05737 204.4
[M]- 450.05847 204.4
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.