CID 5052883

303059-91-8

Structural Information

Molecular Formula
C26H20BrN3O
SMILES
CC1(N2C(CC(=N2)C3=CC4=CC=CC=C4C=C3)C5=C(O1)C=CC(=C5)Br)C6=CC=NC=C6
InChI
InChI=1S/C26H20BrN3O/c1-26(20-10-12-28-13-11-20)30-24(22-15-21(27)8-9-25(22)31-26)16-23(29-30)19-7-6-17-4-2-3-5-18(17)14-19/h2-15,24H,16H2,1H3
InChIKey
DZKBQHXPOBVWSY-UHFFFAOYSA-N
Compound name
9-bromo-5-methyl-2-naphthalen-2-yl-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

469.07898 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.08626 210.1
[M+Na]+ 492.06820 218.8
[M+NH4]+ 487.11280 217.0
[M+K]+ 508.04214 214.0
[M-H]- 468.07170 216.6
[M+Na-2H]- 490.05365 215.4
[M]+ 469.07843 212.7
[M]- 469.07953 212.7
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.