CID 3811852

303104-37-2

Structural Information

Molecular Formula
C20H15ClN2O2
SMILES
C1C2C3=C(C=CC(=C3)Cl)OC(N2N=C1C4=CC=CO4)C5=CC=CC=C5
InChI
InChI=1S/C20H15ClN2O2/c21-14-8-9-18-15(11-14)17-12-16(19-7-4-10-24-19)22-23(17)20(25-18)13-5-2-1-3-6-13/h1-11,17,20H,12H2
InChIKey
JRDLQYGIXLGAFV-UHFFFAOYSA-N
Compound name
9-chloro-2-(furan-2-yl)-5-phenyl-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

350.0822 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.08948 179.1
[M+Na]+ 373.07142 196.6
[M+NH4]+ 368.11602 189.0
[M+K]+ 389.04536 191.2
[M-H]- 349.07492 188.2
[M+Na-2H]- 371.05687 186.5
[M]+ 350.08165 184.8
[M]- 350.08275 184.8
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.