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]+ 409.09496 192.6
[M+Na]+ 431.07690 208.8
[M+NH4]+ 426.12150 200.7
[M+K]+ 447.05084 205.0
[M-H]- 407.08040 200.5
[M+Na-2H]- 429.06235 198.1
[M]+ 408.08713 197.6
[M]- 408.08823 197.6
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.