CID 4249599

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

Structural Information

Molecular Formula
C25H20Cl2N2O4
SMILES
COC1=CC=C(C=C1)C2=NN3C(C2)C4=C(C(=CC(=C4)Cl)Cl)OC3C(=O)C5=CC=C(C=C5)OC
InChI
InChI=1S/C25H20Cl2N2O4/c1-31-17-7-3-14(4-8-17)21-13-22-19-11-16(26)12-20(27)24(19)33-25(29(22)28-21)23(30)15-5-9-18(32-2)10-6-15/h3-12,22,25H,13H2,1-2H3
InChIKey
PWOGYUGETJCDTK-UHFFFAOYSA-N
Compound name
[7,9-dichloro-2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]-(4-methoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.08002 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.08730 214.0
[M+Na]+ 505.06924 224.0
[M-H]- 481.07274 222.9
[M+NH4]+ 500.11384 222.5
[M+K]+ 521.04318 218.1
[M+H-H2O]+ 465.07728 203.4
[M+HCOO]- 527.07822 219.3
[M+CH3COO]- 541.09387 222.3
[M+Na-2H]- 503.05469 212.2
[M]+ 482.07947 221.7
[M]- 482.08057 221.7
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.