CID 391959

Nsc691646

Structural Information

Molecular Formula
C13H11N3O3
SMILES
C1CC2=C(C1)OC(=O)C(=C2)NC(=O)C3=NC=CN=C3
InChI
InChI=1S/C13H11N3O3/c17-12(10-7-14-4-5-15-10)16-9-6-8-2-1-3-11(8)19-13(9)18/h4-7H,1-3H2,(H,16,17)
InChIKey
AFPQMFPVJYIOER-UHFFFAOYSA-N
Compound name
N-(2-oxo-6,7-dihydro-5H-cyclopenta[b]pyran-3-yl)pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.08005 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.08733 153.9
[M+Na]+ 280.06927 162.4
[M-H]- 256.07277 160.0
[M+NH4]+ 275.11387 168.9
[M+K]+ 296.04321 160.0
[M+H-H2O]+ 240.07731 145.3
[M+HCOO]- 302.07825 175.2
[M+CH3COO]- 316.09390 166.3
[M+Na-2H]- 278.05472 160.4
[M]+ 257.07950 154.7
[M]- 257.08060 154.7
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.