CID 2802736

5-(3-nitrophenyl)-2-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

Structural Information

Molecular Formula
C22H17N3O3
SMILES
C1C2C3=CC=CC=C3OC(N2N=C1C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-]
InChI
InChI=1S/C22H17N3O3/c26-25(27)17-10-6-9-16(13-17)22-24-20(18-11-4-5-12-21(18)28-22)14-19(23-24)15-7-2-1-3-8-15/h1-13,20,22H,14H2
InChIKey
XDCKXQFMERWWFC-UHFFFAOYSA-N
Compound name
5-(3-nitrophenyl)-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

371.12698 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.13426 185.6
[M+Na]+ 394.11620 203.0
[M+NH4]+ 389.16080 194.5
[M+K]+ 410.09014 198.3
[M-H]- 370.11970 195.0
[M+Na-2H]- 392.10165 194.1
[M]+ 371.12643 190.9
[M]- 371.12753 190.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.