CID 33029

Brn 1117622

Structural Information

Molecular Formula
C11H7N3O2
SMILES
C1=CC=C(C=C1)C2=NNC(=O)C3=NOC=C23
InChI
InChI=1S/C11H7N3O2/c15-11-10-8(6-16-14-10)9(12-13-11)7-4-2-1-3-5-7/h1-6H,(H,13,15)
InChIKey
GXRAZEHWDPPKRU-UHFFFAOYSA-N
Compound name
4-phenyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

213.05383 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.06111 141.7
[M+Na]+ 236.04305 153.9
[M-H]- 212.04655 145.9
[M+NH4]+ 231.08765 157.2
[M+K]+ 252.01699 149.8
[M+H-H2O]+ 196.05109 133.2
[M+HCOO]- 258.05203 163.2
[M+CH3COO]- 272.06768 155.3
[M+Na-2H]- 234.02850 151.1
[M]+ 213.05328 143.9
[M]- 213.05438 143.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.