CID 3121727

5-(3-chlorophenyl)-2-(4-chlorophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

Structural Information

Molecular Formula
C22H16Cl2N2O
SMILES
C1C2C3=CC=CC=C3OC(N2N=C1C4=CC=C(C=C4)Cl)C5=CC(=CC=C5)Cl
InChI
InChI=1S/C22H16Cl2N2O/c23-16-10-8-14(9-11-16)19-13-20-18-6-1-2-7-21(18)27-22(26(20)25-19)15-4-3-5-17(24)12-15/h1-12,20,22H,13H2
InChIKey
LSWZBKGKVWBYMK-UHFFFAOYSA-N
Compound name
5-(3-chlorophenyl)-2-(4-chlorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

394.06396 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.07124 192.2
[M+Na]+ 417.05318 212.2
[M+NH4]+ 412.09778 202.7
[M+K]+ 433.02712 202.1
[M-H]- 393.05668 201.1
[M+Na-2H]- 415.03863 201.3
[M]+ 394.06341 198.6
[M]- 394.06451 198.6
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

patents stripe