CID 33025

25505-98-0

Structural Information

Molecular Formula
C12H9N3O2
SMILES
CN1C(=O)C2=NOC=C2C(=N1)C3=CC=CC=C3
InChI
InChI=1S/C12H9N3O2/c1-15-12(16)11-9(7-17-14-11)10(13-15)8-5-3-2-4-6-8/h2-7H,1H3
InChIKey
XTNGCLPUGZJGOH-UHFFFAOYSA-N
Compound name
6-methyl-4-phenyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.06947 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.076746 146.5
[M+Na]+ 250.058688 159.6
[M-H]- 226.062194 152.3
[M+NH4]+ 245.103293 162.5
[M+K]+ 266.032628 156.2
[M+H-H2O]+ 210.066730 137.8
[M+HCOO]- 272.067671 169.2
[M+CH3COO]- 286.083321 160.7
[M+Na-2H]- 248.044136 155.0
[M]+ 227.06892142 151.3
[M]- 227.07001858 151.3
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.