CID 5112396

303061-04-3

Structural Information

Molecular Formula
C23H18Br2N2O3
SMILES
COC1=CC=C(C=C1)C2=NN3C(C2)C4=C(C=CC(=C4)Br)OC3C5=C(C=CC(=C5)Br)O
InChI
InChI=1S/C23H18Br2N2O3/c1-29-16-6-2-13(3-7-16)19-12-20-17-10-15(25)5-9-22(17)30-23(27(20)26-19)18-11-14(24)4-8-21(18)28/h2-11,20,23,28H,12H2,1H3
InChIKey
BAPQQOQUFUHILI-UHFFFAOYSA-N
Compound name
4-bromo-2-[9-bromo-2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

527.96844 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 528.97572 201.2
[M+Na]+ 550.95766 198.1
[M+NH4]+ 546.00226 202.6
[M+K]+ 566.93160 203.2
[M-H]- 526.96116 204.5
[M+Na-2H]- 548.94311 201.1
[M]+ 527.96789 200.8
[M]- 527.96899 200.8
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.