CID 377504

Nsc658988

Structural Information

Molecular Formula
C11H9N3O4
SMILES
CC(=O)OCC1=CC=C(O1)C2=NC(=C(O2)N)C#N
InChI
InChI=1S/C11H9N3O4/c1-6(15)16-5-7-2-3-9(17-7)11-14-8(4-12)10(13)18-11/h2-3H,5,13H2,1H3
InChIKey
MIPLVGNUQGQMEH-UHFFFAOYSA-N
Compound name
[5-(5-amino-4-cyano-1,3-oxazol-2-yl)furan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.05931 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.06659 152.1
[M+Na]+ 270.04853 163.7
[M-H]- 246.05203 157.5
[M+NH4]+ 265.09313 166.4
[M+K]+ 286.02247 162.9
[M+H-H2O]+ 230.05657 137.9
[M+HCOO]- 292.05751 173.2
[M+CH3COO]- 306.07316 203.7
[M+Na-2H]- 268.03398 154.8
[M]+ 247.05876 152.2
[M]- 247.05986 152.2
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.