CID 3131218

303107-16-6

Structural Information

Molecular Formula
C24H21BrFN3O
SMILES
CN(C)C1=CC=C(C=C1)C2N3C(CC(=N3)C4=CC=C(C=C4)F)C5=C(O2)C=CC(=C5)Br
InChI
InChI=1S/C24H21BrFN3O/c1-28(2)19-10-5-16(6-11-19)24-29-22(20-13-17(25)7-12-23(20)30-24)14-21(27-29)15-3-8-18(26)9-4-15/h3-13,22,24H,14H2,1-2H3
InChIKey
CBBPAFBHSFFNGC-UHFFFAOYSA-N
Compound name
4-[9-bromo-2-(4-fluorophenyl)-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

465.0852 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.09248 211.1
[M+Na]+ 488.07442 221.6
[M-H]- 464.07792 222.5
[M+NH4]+ 483.11902 223.2
[M+K]+ 504.04836 209.8
[M+H-H2O]+ 448.08246 206.1
[M+HCOO]- 510.08340 225.1
[M+CH3COO]- 524.09905 221.3
[M+Na-2H]- 486.05987 212.0
[M]+ 465.08465 229.2
[M]- 465.08575 229.2
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.