CID 3121914

9-bromo-2,5-bis(4-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

Structural Information

Molecular Formula
C24H21BrN2O3
SMILES
COC1=CC=C(C=C1)C2N3C(CC(=N3)C4=CC=C(C=C4)OC)C5=C(O2)C=CC(=C5)Br
InChI
InChI=1S/C24H21BrN2O3/c1-28-18-8-3-15(4-9-18)21-14-22-20-13-17(25)7-12-23(20)30-24(27(22)26-21)16-5-10-19(29-2)11-6-16/h3-13,22,24H,14H2,1-2H3
InChIKey
WSEMHUIXRFOPRO-UHFFFAOYSA-N
Compound name
9-bromo-2,5-bis(4-methoxyphenyl)-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

464.07355 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.08083 206.4
[M+Na]+ 487.06277 213.4
[M+NH4]+ 482.10737 211.1
[M+K]+ 503.03671 211.8
[M-H]- 463.06627 212.0
[M+Na-2H]- 485.04822 209.7
[M]+ 464.07300 208.1
[M]- 464.07410 208.1
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.