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 185.9
[M+Na]+ 394.11620 191.4
[M-H]- 370.11970 195.0
[M+NH4]+ 389.16080 195.6
[M+K]+ 410.09014 182.2
[M+H-H2O]+ 354.12424 178.8
[M+HCOO]- 416.12518 203.1
[M+CH3COO]- 430.14083 212.2
[M+Na-2H]- 392.10165 192.1
[M]+ 371.12643 183.1
[M]- 371.12753 183.1
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.