CID 3566881

[9-chloro-2-(2-furyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl](4-methoxyphenyl)methanone

Structural Information

Molecular Formula
C22H17ClN2O4
SMILES
COC1=CC=C(C=C1)C(=O)C2N3C(CC(=N3)C4=CC=CO4)C5=C(O2)C=CC(=C5)Cl
InChI
InChI=1S/C22H17ClN2O4/c1-27-15-7-4-13(5-8-15)21(26)22-25-18(12-17(24-25)20-3-2-10-28-20)16-11-14(23)6-9-19(16)29-22/h2-11,18,22H,12H2,1H3
InChIKey
ITRRDDIVDBXDFN-UHFFFAOYSA-N
Compound name
[9-chloro-2-(furan-2-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]-(4-methoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.08768 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.094956 195.7
[M+Na]+ 431.076898 205.3
[M-H]- 407.080404 206.4
[M+NH4]+ 426.121503 207.0
[M+K]+ 447.050838 201.5
[M+H-H2O]+ 391.084940 187.2
[M+HCOO]- 453.085881 207.2
[M+CH3COO]- 467.101531 206.0
[M+Na-2H]- 429.062346 194.7
[M]+ 408.08713142 201.8
[M]- 408.08822858 201.8
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.