CID 3121890

9-chloro-5-(4-chlorophenyl)-2-(4-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

Structural Information

Molecular Formula
C23H18Cl2N2O2
SMILES
COC1=CC=C(C=C1)C2=NN3C(C2)C4=C(C=CC(=C4)Cl)OC3C5=CC=C(C=C5)Cl
InChI
InChI=1S/C23H18Cl2N2O2/c1-28-18-9-4-14(5-10-18)20-13-21-19-12-17(25)8-11-22(19)29-23(27(21)26-20)15-2-6-16(24)7-3-15/h2-12,21,23H,13H2,1H3
InChIKey
NAYSTQYIMRWPFE-UHFFFAOYSA-N
Compound name
9-chloro-5-(4-chlorophenyl)-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

424.07452 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.08180 199.7
[M+Na]+ 447.06374 219.3
[M+NH4]+ 442.10834 209.5
[M+K]+ 463.03768 209.7
[M-H]- 423.06724 208.2
[M+Na-2H]- 445.04919 207.9
[M]+ 424.07397 205.9
[M]- 424.07507 205.9
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.