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[3,4-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]+ 305.10332 169.2
[M+Na]+ 327.08526 181.2
[M-H]- 303.08876 177.8
[M+NH4]+ 322.12986 180.9
[M+K]+ 343.05920 175.6
[M+H-H2O]+ 287.09330 158.7
[M+HCOO]- 349.09424 191.6
[M+CH3COO]- 363.10989 181.5
[M+Na-2H]- 325.07071 176.0
[M]+ 304.09549 171.8
[M]- 304.09659 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.