CID 4583944

[7,9-dichloro-2-(4-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl](4-methylphenyl)methanone

Structural Information

Molecular Formula
C25H20Cl2N2O3
SMILES
CC1=CC=C(C=C1)C(=O)C2N3C(CC(=N3)C4=CC=C(C=C4)OC)C5=C(O2)C(=CC(=C5)Cl)Cl
InChI
InChI=1S/C25H20Cl2N2O3/c1-14-3-5-16(6-4-14)23(30)25-29-22(19-11-17(26)12-20(27)24(19)32-25)13-21(28-29)15-7-9-18(31-2)10-8-15/h3-12,22,25H,13H2,1-2H3
InChIKey
ISMNVDQZCRUTBB-UHFFFAOYSA-N
Compound name
[7,9-dichloro-2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]-(4-methylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.08508 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.09236 209.7
[M+Na]+ 489.07430 228.4
[M+NH4]+ 484.11890 218.2
[M+K]+ 505.04824 219.9
[M-H]- 465.07780 217.4
[M+Na-2H]- 487.05975 216.5
[M]+ 466.08453 215.5
[M]- 466.08563 215.5
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.