CID 5062747

302914-23-4

Structural Information

Molecular Formula
C22H14Cl4N2O
SMILES
C1C2C3=C(C(=CC(=C3)Cl)Cl)OC(N2N=C1C4=CC=CC=C4)C5=CC(=C(C=C5)Cl)Cl
InChI
InChI=1S/C22H14Cl4N2O/c23-14-9-15-20-11-19(12-4-2-1-3-5-12)27-28(20)22(29-21(15)18(26)10-14)13-6-7-16(24)17(25)8-13/h1-10,20,22H,11H2
InChIKey
RDVOSQKPCIZGAP-UHFFFAOYSA-N
Compound name
7,9-dichloro-5-(3,4-dichlorophenyl)-2-phenyl-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

461.98602 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.99330 206.3
[M+Na]+ 484.97524 217.6
[M-H]- 460.97874 211.4
[M+NH4]+ 480.01984 215.9
[M+K]+ 500.94918 210.2
[M+H-H2O]+ 444.98328 196.1
[M+HCOO]- 506.98422 201.9
[M+CH3COO]- 520.99987 213.4
[M+Na-2H]- 482.96069 203.7
[M]+ 461.98547 209.8
[M]- 461.98657 209.8
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.