CID 3121680

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

Structural Information

Molecular Formula
C22H16Cl2N2O
SMILES
C1C2C3=C(C=CC(=C3)Cl)OC(N2N=C1C4=CC=CC=C4)C5=CC(=CC=C5)Cl
InChI
InChI=1S/C22H16Cl2N2O/c23-16-8-4-7-15(11-16)22-26-20(18-12-17(24)9-10-21(18)27-22)13-19(25-26)14-5-2-1-3-6-14/h1-12,20,22H,13H2
InChIKey
VMDBPNNUEHBEAV-UHFFFAOYSA-N
Compound name
9-chloro-5-(3-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

394.06396 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.07124 193.9
[M+Na]+ 417.05318 204.5
[M-H]- 393.05668 202.0
[M+NH4]+ 412.09778 205.8
[M+K]+ 433.02712 196.5
[M+H-H2O]+ 377.06122 183.2
[M+HCOO]- 439.06216 200.5
[M+CH3COO]- 453.07781 203.3
[M+Na-2H]- 415.03863 195.2
[M]+ 394.06341 196.8
[M]- 394.06451 196.8
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.