CID 4217555

303093-92-7

Structural Information

Molecular Formula
C23H16Cl4N2O
SMILES
CC1=CC=C(C=C1)C2=NN3C(C2)C4=C(C(=CC(=C4)Cl)Cl)OC3C5=C(C=C(C=C5)Cl)Cl
InChI
InChI=1S/C23H16Cl4N2O/c1-12-2-4-13(5-3-12)20-11-21-17-8-15(25)10-19(27)22(17)30-23(29(21)28-20)16-7-6-14(24)9-18(16)26/h2-10,21,23H,11H2,1H3
InChIKey
CBGCLQALJOXUOP-UHFFFAOYSA-N
Compound name
7,9-dichloro-5-(2,4-dichlorophenyl)-2-(4-methylphenyl)-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

476.00168 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.00896 210.6
[M+Na]+ 498.99090 230.5
[M+NH4]+ 494.03550 220.0
[M+K]+ 514.96484 219.6
[M-H]- 474.99440 218.0
[M+Na-2H]- 496.97635 217.3
[M]+ 476.00113 217.1
[M]- 476.00223 217.1
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.