CID 3710358

303059-72-5

Structural Information

Molecular Formula
C22H17Cl2N3O2
SMILES
COC1=CC=C(C=C1)C2=NN3C(C2)C4=C(C(=CC(=C4)Cl)Cl)OC3C5=CC=NC=C5
InChI
InChI=1S/C22H17Cl2N3O2/c1-28-16-4-2-13(3-5-16)19-12-20-17-10-15(23)11-18(24)21(17)29-22(27(20)26-19)14-6-8-25-9-7-14/h2-11,20,22H,12H2,1H3
InChIKey
BYTIUKYIBNXDOK-UHFFFAOYSA-N
Compound name
7,9-dichloro-2-(4-methoxyphenyl)-5-pyridin-4-yl-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

425.0698 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.07708 200.9
[M+Na]+ 448.05902 211.9
[M-H]- 424.06252 208.1
[M+NH4]+ 443.10362 210.3
[M+K]+ 464.03296 204.7
[M+H-H2O]+ 408.06706 189.2
[M+HCOO]- 470.06800 206.2
[M+CH3COO]- 484.08365 209.6
[M+Na-2H]- 446.04447 201.6
[M]+ 425.06925 205.9
[M]- 425.07035 205.9
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.