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]+ 214.061106 141.7
[M+Na]+ 236.043048 153.9
[M-H]- 212.046554 145.9
[M+NH4]+ 231.087653 157.2
[M+K]+ 252.016988 149.8
[M+H-H2O]+ 196.051090 133.2
[M+HCOO]- 258.052031 163.2
[M+CH3COO]- 272.067681 155.3
[M+Na-2H]- 234.028496 151.1
[M]+ 213.05328142 143.9
[M]- 213.05437858 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

literature stripe

Patent stripe

patents stripe