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]+ 304.108046 169.8
[M+Na]+ 326.089988 182.3
[M-H]- 302.093494 178.6
[M+NH4]+ 321.134593 182.1
[M+K]+ 342.063928 176.8
[M+H-H2O]+ 286.098030 159.3
[M+HCOO]- 348.098971 191.4
[M+CH3COO]- 362.114621 182.4
[M+Na-2H]- 324.075436 176.2
[M]+ 303.10022142 174.1
[M]- 303.10131858 174.1
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.