CID 33026

Brn 1139896

Structural Information

Molecular Formula
C17H11N3O2
SMILES
C1=CC=C(C=C1)C2=NN(C(=O)C3=NOC=C23)C4=CC=CC=C4
InChI
InChI=1S/C17H11N3O2/c21-17-16-14(11-22-19-16)15(12-7-3-1-4-8-12)18-20(17)13-9-5-2-6-10-13/h1-11H
InChIKey
LBUYGKIHAVPWJS-UHFFFAOYSA-N
Compound name
4,6-diphenyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.0851 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.09238 164.4
[M+Na]+ 312.07432 176.4
[M-H]- 288.07782 172.9
[M+NH4]+ 307.11892 176.9
[M+K]+ 328.04826 171.1
[M+H-H2O]+ 272.08236 153.8
[M+HCOO]- 334.08330 186.3
[M+CH3COO]- 348.09895 177.1
[M+Na-2H]- 310.05977 172.1
[M]+ 289.08455 167.9
[M]- 289.08565 167.9
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.