CID 3121913

303060-92-6

Structural Information

Molecular Formula
C24H21BrN2O2
SMILES
CC1=CC=C(C=C1)C2N3C(CC(=N3)C4=CC=C(C=C4)OC)C5=C(O2)C=CC(=C5)Br
InChI
InChI=1S/C24H21BrN2O2/c1-15-3-5-17(6-4-15)24-27-22(20-13-18(25)9-12-23(20)29-24)14-21(26-27)16-7-10-19(28-2)11-8-16/h3-13,22,24H,14H2,1-2H3
InChIKey
CLYQQYXUKPFUSX-UHFFFAOYSA-N
Compound name
9-bromo-2-(4-methoxyphenyl)-5-(4-methylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

448.07864 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.08592 202.9
[M+Na]+ 471.06786 210.4
[M+NH4]+ 466.11246 208.1
[M+K]+ 487.04180 208.4
[M-H]- 447.07136 208.9
[M+Na-2H]- 469.05331 206.6
[M]+ 448.07809 204.9
[M]- 448.07919 204.9
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

patents stripe