CID 3087662

Brn 4819203

Structural Information

Molecular Formula
C17H12N4O2
SMILES
C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)OC(=N3)C4=CC=CC=C4N
InChI
InChI=1S/C17H12N4O2/c18-14-9-5-4-8-12(14)16-20-15-13(17(22)23-16)10-19-21(15)11-6-2-1-3-7-11/h1-10H,18H2
InChIKey
FWPYALQGXGGLJC-UHFFFAOYSA-N
Compound name
6-(2-aminophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.09604 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.103316 169.2
[M+Na]+ 327.085258 181.2
[M-H]- 303.088764 177.8
[M+NH4]+ 322.129863 180.9
[M+K]+ 343.059198 175.6
[M+H-H2O]+ 287.093300 158.7
[M+HCOO]- 349.094241 191.6
[M+CH3COO]- 363.109891 181.5
[M+Na-2H]- 325.070706 176.0
[M]+ 304.09549142 171.8
[M]- 304.09658858 171.8
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.