CID 33028

25506-01-8

Structural Information

Molecular Formula
C18H13N3O2
SMILES
CC1=C2C(=NN(C(=O)C2=NO1)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C18H13N3O2/c1-12-15-16(13-8-4-2-5-9-13)19-21(14-10-6-3-7-11-14)18(22)17(15)20-23-12/h2-11H,1H3
InChIKey
JXQJWJVSXBROGH-UHFFFAOYSA-N
Compound name
3-methyl-4,6-diphenyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

303.10077 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.10805 168.4
[M+Na]+ 326.08999 187.7
[M+NH4]+ 321.13459 176.5
[M+K]+ 342.06393 180.9
[M-H]- 302.09349 175.5
[M+Na-2H]- 324.07544 179.5
[M]+ 303.10022 173.5
[M]- 303.10132 173.5
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.