CID 3121889

303059-65-6

Structural Information

Molecular Formula
C23H18ClFN2O2
SMILES
COC1=CC=C(C=C1)C2=NN3C(C2)C4=C(C=CC(=C4)Cl)OC3C5=CC=C(C=C5)F
InChI
InChI=1S/C23H18ClFN2O2/c1-28-18-9-4-14(5-10-18)20-13-21-19-12-16(24)6-11-22(19)29-23(27(21)26-20)15-2-7-17(25)8-3-15/h2-12,21,23H,13H2,1H3
InChIKey
KUEAZOQOMWJIED-UHFFFAOYSA-N
Compound name
9-chloro-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

408.1041 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.11138 198.3
[M+Na]+ 431.09332 216.2
[M+NH4]+ 426.13792 207.1
[M+K]+ 447.06726 207.6
[M-H]- 407.09682 205.4
[M+Na-2H]- 429.07877 205.6
[M]+ 408.10355 203.4
[M]- 408.10465 203.4
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.