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[3,4-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]+ 320.10298 172.6
[M+Na]+ 342.08492 184.8
[M-H]- 318.08842 181.5
[M+NH4]+ 337.12952 184.1
[M+K]+ 358.05886 180.1
[M+H-H2O]+ 302.09296 161.9
[M+HCOO]- 364.09390 194.4
[M+CH3COO]- 378.10955 185.0
[M+Na-2H]- 340.07037 179.1
[M]+ 319.09515 178.3
[M]- 319.09625 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.