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 198.5
[M+Na]+ 431.09332 209.1
[M-H]- 407.09682 206.7
[M+NH4]+ 426.13792 209.6
[M+K]+ 447.06726 201.8
[M+H-H2O]+ 391.10136 186.7
[M+HCOO]- 453.10230 209.0
[M+CH3COO]- 467.11795 207.9
[M+Na-2H]- 429.07877 199.1
[M]+ 408.10355 201.2
[M]- 408.10465 201.2
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.