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 181.5
[M+Na]+ 373.07142 191.8
[M-H]- 349.07492 191.9
[M+NH4]+ 368.11602 195.3
[M+K]+ 389.04536 186.9
[M+H-H2O]+ 333.07946 172.8
[M+HCOO]- 395.08040 194.3
[M+CH3COO]- 409.09605 192.8
[M+Na-2H]- 371.05687 182.8
[M]+ 350.08165 185.0
[M]- 350.08275 185.0
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.