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 212.1
[M+Na]+ 489.07430 222.5
[M-H]- 465.07780 220.9
[M+NH4]+ 484.11890 221.4
[M+K]+ 505.04824 215.7
[M+H-H2O]+ 449.08234 201.6
[M+HCOO]- 511.08328 217.3
[M+CH3COO]- 525.09893 220.6
[M+Na-2H]- 487.05975 210.0
[M]+ 466.08453 218.5
[M]- 466.08563 218.5
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.