CID 3121736

302913-76-4

Structural Information

Molecular Formula
C22H15Cl3N2O2
SMILES
C1C2C3=CC=CC=C3OC(N2N=C1C4=CC=C(C=C4)Cl)C5=C(C(=CC(=C5)Cl)Cl)O
InChI
InChI=1S/C22H15Cl3N2O2/c23-13-7-5-12(6-8-13)18-11-19-15-3-1-2-4-20(15)29-22(27(19)26-18)16-9-14(24)10-17(25)21(16)28/h1-10,19,22,28H,11H2
InChIKey
XZDKUPMCVMDSRN-UHFFFAOYSA-N
Compound name
2,4-dichloro-6-[2-(4-chlorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.0199 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.02718 202.0
[M+Na]+ 467.00912 221.5
[M+NH4]+ 462.05372 211.4
[M+K]+ 482.98306 212.0
[M-H]- 443.01262 209.6
[M+Na-2H]- 464.99457 209.2
[M]+ 444.01935 208.2
[M]- 444.02045 208.2
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.