CID 3071665

Brn 4820593

Structural Information

Molecular Formula
C18H13N3O3
SMILES
COC1=CC=CC=C1C2=NC3=C(C=NN3C4=CC=CC=C4)C(=O)O2
InChI
InChI=1S/C18H13N3O3/c1-23-15-10-6-5-9-13(15)17-20-16-14(18(22)24-17)11-19-21(16)12-7-3-2-4-8-12/h2-11H,1H3
InChIKey
YPKAMYSLKNIWCG-UHFFFAOYSA-N
Compound name
6-(2-methoxyphenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.0957 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.102976 172.6
[M+Na]+ 342.084918 184.8
[M-H]- 318.088424 181.5
[M+NH4]+ 337.129523 184.1
[M+K]+ 358.058858 180.1
[M+H-H2O]+ 302.092960 161.9
[M+HCOO]- 364.093901 194.4
[M+CH3COO]- 378.109551 185.0
[M+Na-2H]- 340.070366 179.1
[M]+ 319.09515142 178.3
[M]- 319.09624858 178.3
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.