CID 4227749

477333-60-1

Structural Information

Molecular Formula
C21H15ClFN3O
SMILES
C1C2C3=C(C=CC(=C3)Cl)OC(N2N=C1C4=CC=C(C=C4)F)C5=CC=NC=C5
InChI
InChI=1S/C21H15ClFN3O/c22-15-3-6-20-17(11-15)19-12-18(13-1-4-16(23)5-2-13)25-26(19)21(27-20)14-7-9-24-10-8-14/h1-11,19,21H,12H2
InChIKey
ARGSURHVYVGVOO-UHFFFAOYSA-N
Compound name
9-chloro-2-(4-fluorophenyl)-5-pyridin-4-yl-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

379.08878 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.09606 190.0
[M+Na]+ 402.07800 200.8
[M-H]- 378.08150 196.6
[M+NH4]+ 397.12260 200.6
[M+K]+ 418.05194 192.8
[M+H-H2O]+ 362.08604 177.4
[M+HCOO]- 424.08698 199.7
[M+CH3COO]- 438.10263 199.3
[M+Na-2H]- 400.06345 192.1
[M]+ 379.08823 190.7
[M]- 379.08933 190.7
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.