CID 4048504

303104-33-8

Structural Information

Molecular Formula
C22H15Cl3N2O
SMILES
C1C2C3=C(C(=CC(=C3)Cl)Cl)OC(N2N=C1C4=CC=CC=C4)C5=CC=CC=C5Cl
InChI
InChI=1S/C22H15Cl3N2O/c23-14-10-16-20-12-19(13-6-2-1-3-7-13)26-27(20)22(28-21(16)18(25)11-14)15-8-4-5-9-17(15)24/h1-11,20,22H,12H2
InChIKey
MBMDJBFJGOBUQY-UHFFFAOYSA-N
Compound name
7,9-dichloro-5-(2-chlorophenyl)-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

428.025 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.03228 200.4
[M+Na]+ 451.01422 211.6
[M-H]- 427.01772 207.3
[M+NH4]+ 446.05882 211.3
[M+K]+ 466.98816 203.6
[M+H-H2O]+ 411.02226 190.0
[M+HCOO]- 473.02320 201.6
[M+CH3COO]- 487.03885 208.9
[M+Na-2H]- 448.99967 199.9
[M]+ 428.02445 204.1
[M]- 428.02555 204.1
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.