CID 3071662

Brn 4819308

Structural Information

Molecular Formula
C14H11N3O4
SMILES
CC(=O)OC1=CC=CC=C1C2=NC3=C(C=NN3C)C(=O)O2
InChI
InChI=1S/C14H11N3O4/c1-8(18)20-11-6-4-3-5-9(11)13-16-12-10(14(19)21-13)7-15-17(12)2/h3-7H,1-2H3
InChIKey
RXPHUZNYEGEETB-UHFFFAOYSA-N
Compound name
[2-(1-methyl-4-oxopyrazolo[3,4-d][1,3]oxazin-6-yl)phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.07495 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.08223 161.2
[M+Na]+ 308.06417 173.8
[M-H]- 284.06767 167.3
[M+NH4]+ 303.10877 174.7
[M+K]+ 324.03811 171.2
[M+H-H2O]+ 268.07221 152.3
[M+HCOO]- 330.07315 182.7
[M+CH3COO]- 344.08880 174.5
[M+Na-2H]- 306.04962 166.9
[M]+ 285.07440 168.5
[M]- 285.07550 168.5
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.