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 203.9
[M+Na]+ 473.04714 214.7
[M-H]- 449.05064 214.6
[M+NH4]+ 468.09174 215.7
[M+K]+ 489.02108 203.3
[M+H-H2O]+ 433.05518 200.8
[M+HCOO]- 495.05612 216.8
[M+CH3COO]- 509.07177 214.5
[M+Na-2H]- 471.03259 206.1
[M]+ 450.05737 223.2
[M]- 450.05847 223.2
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.