CID 3311625

303061-35-0

Structural Information

Molecular Formula
C23H17Cl2FN2O2
SMILES
COC1=CC=C(C=C1)C2=NN3C(C2)C4=C(C(=CC(=C4)Cl)Cl)OC3C5=CC=C(C=C5)F
InChI
InChI=1S/C23H17Cl2FN2O2/c1-29-17-8-4-13(5-9-17)20-12-21-18-10-15(24)11-19(25)22(18)30-23(28(21)27-20)14-2-6-16(26)7-3-14/h2-11,21,23H,12H2,1H3
InChIKey
FYVSKJMOXGOXNM-UHFFFAOYSA-N
Compound name
7,9-dichloro-5-(4-fluorophenyl)-2-(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

442.06512 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.07240 205.1
[M+Na]+ 465.05434 216.9
[M-H]- 441.05784 212.7
[M+NH4]+ 460.09894 215.6
[M+K]+ 481.02828 209.1
[M+H-H2O]+ 425.06238 193.7
[M+HCOO]- 487.06332 210.5
[M+CH3COO]- 501.07897 214.0
[M+Na-2H]- 463.03979 204.2
[M]+ 442.06457 209.8
[M]- 442.06567 209.8
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.