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 202.6
[M+Na]+ 472.06310 214.4
[M-H]- 448.06660 213.2
[M+NH4]+ 467.10770 215.6
[M+K]+ 488.03704 203.1
[M+H-H2O]+ 432.07114 198.5
[M+HCOO]- 494.07208 215.8
[M+CH3COO]- 508.08773 213.5
[M+Na-2H]- 470.04855 206.6
[M]+ 449.07333 222.8
[M]- 449.07443 222.8
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.