CID 4582977

303095-31-0

Structural Information

Molecular Formula
C27H21BrN2O2
SMILES
COC1=CC=CC=C1C2N3C(CC(=N3)C4=CC5=CC=CC=C5C=C4)C6=C(O2)C=CC(=C6)Br
InChI
InChI=1S/C27H21BrN2O2/c1-31-25-9-5-4-8-21(25)27-30-24(22-15-20(28)12-13-26(22)32-27)16-23(29-30)19-11-10-17-6-2-3-7-18(17)14-19/h2-15,24,27H,16H2,1H3
InChIKey
OZQUFMTZLYSPGR-UHFFFAOYSA-N
Compound name
9-bromo-5-(2-methoxyphenyl)-2-naphthalen-2-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

484.07864 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.08592 212.5
[M+Na]+ 507.06786 221.1
[M+NH4]+ 502.11246 218.3
[M+K]+ 523.04180 217.9
[M-H]- 483.07136 219.4
[M+Na-2H]- 505.05331 216.4
[M]+ 484.07809 215.0
[M]- 484.07919 215.0
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.