CID 3581209

303107-17-7

Structural Information

Molecular Formula
C24H20BrCl2N3O
SMILES
CN(C)C1=CC=C(C=C1)C2N3C(CC(=N3)C4=CC=C(C=C4)Br)C5=C(O2)C(=CC(=C5)Cl)Cl
InChI
InChI=1S/C24H20BrCl2N3O/c1-29(2)18-9-5-15(6-10-18)24-30-22(19-11-17(26)12-20(27)23(19)31-24)13-21(28-30)14-3-7-16(25)8-4-14/h3-12,22,24H,13H2,1-2H3
InChIKey
MBBQXROXFPTUOS-UHFFFAOYSA-N
Compound name
4-[2-(4-bromophenyl)-7,9-dichloro-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

515.01666 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 516.02394 215.7
[M+Na]+ 538.00588 224.4
[M+NH4]+ 533.05048 221.4
[M+K]+ 553.97982 220.9
[M-H]- 514.00938 222.4
[M+Na-2H]- 535.99133 219.3
[M]+ 515.01611 218.6
[M]- 515.01721 218.6
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.