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 202.1
[M+Na]+ 467.00912 213.6
[M-H]- 443.01262 208.4
[M+NH4]+ 462.05372 212.1
[M+K]+ 482.98306 205.9
[M+H-H2O]+ 427.01716 192.6
[M+HCOO]- 489.01810 202.2
[M+CH3COO]- 503.03375 210.3
[M+Na-2H]- 464.99457 201.1
[M]+ 444.01935 206.2
[M]- 444.02045 206.2
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.