CID 3479140

303059-73-6

Structural Information

Molecular Formula
C23H20BrN3O2
SMILES
CC1(N2C(CC(=N2)C3=CC=C(C=C3)OC)C4=C(O1)C=CC(=C4)Br)C5=CC=NC=C5
InChI
InChI=1S/C23H20BrN3O2/c1-23(16-9-11-25-12-10-16)27-21(19-13-17(24)5-8-22(19)29-23)14-20(26-27)15-3-6-18(28-2)7-4-15/h3-13,21H,14H2,1-2H3
InChIKey
LQIGTMNUEBHJEP-UHFFFAOYSA-N
Compound name
9-bromo-2-(4-methoxyphenyl)-5-methyl-5-pyridin-4-yl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.07388 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.08116 203.6
[M+Na]+ 472.06310 210.9
[M+NH4]+ 467.10770 209.5
[M+K]+ 488.03704 207.7
[M-H]- 448.06660 208.9
[M+Na-2H]- 470.04855 208.5
[M]+ 449.07333 205.5
[M]- 449.07443 205.5
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.