CID 3131189

303059-90-7

Structural Information

Molecular Formula
C25H18BrN3O
SMILES
C1C2C3=C(C=CC(=C3)Br)OC(N2N=C1C4=CC5=CC=CC=C5C=C4)C6=CC=NC=C6
InChI
InChI=1S/C25H18BrN3O/c26-20-7-8-24-21(14-20)23-15-22(19-6-5-16-3-1-2-4-18(16)13-19)28-29(23)25(30-24)17-9-11-27-12-10-17/h1-14,23,25H,15H2
InChIKey
DERCECTVEREADK-UHFFFAOYSA-N
Compound name
9-bromo-2-naphthalen-2-yl-5-pyridin-4-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.06332 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.07060 206.8
[M+Na]+ 478.05254 217.6
[M-H]- 454.05604 217.5
[M+NH4]+ 473.09714 218.0
[M+K]+ 494.02648 205.1
[M+H-H2O]+ 438.06058 202.2
[M+HCOO]- 500.06152 218.4
[M+CH3COO]- 514.07717 216.6
[M+Na-2H]- 476.03799 210.5
[M]+ 455.06277 223.9
[M]- 455.06387 223.9
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.