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 195.7
[M+Na]+ 431.07690 205.3
[M-H]- 407.08040 206.4
[M+NH4]+ 426.12150 207.0
[M+K]+ 447.05084 201.5
[M+H-H2O]+ 391.08494 187.2
[M+HCOO]- 453.08588 207.2
[M+CH3COO]- 467.10153 206.0
[M+Na-2H]- 429.06235 194.7
[M]+ 408.08713 201.8
[M]- 408.08823 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.