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 211.4
[M+Na]+ 498.99090 223.0
[M-H]- 474.99440 216.6
[M+NH4]+ 494.03550 220.7
[M+K]+ 514.96484 215.6
[M+H-H2O]+ 458.99894 201.2
[M+HCOO]- 520.99988 206.6
[M+CH3COO]- 535.01553 218.3
[M+Na-2H]- 496.97635 207.6
[M]+ 476.00113 215.5
[M]- 476.00223 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.