CID 49767351

2-(6-acetylpyrazin-2-yl)naphthalene-1,4-dione

Structural Information

Molecular Formula
C16H10N2O3
SMILES
CC(=O)C1=NC(=CN=C1)C2=CC(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C16H10N2O3/c1-9(19)13-7-17-8-14(18-13)12-6-15(20)10-4-2-3-5-11(10)16(12)21/h2-8H,1H3
InChIKey
CHUYTAVZTJCVRV-UHFFFAOYSA-N
Compound name
2-(6-acetylpyrazin-2-yl)naphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.06915 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.07643 161.2
[M+Na]+ 301.05837 171.3
[M-H]- 277.06187 166.7
[M+NH4]+ 296.10297 175.3
[M+K]+ 317.03231 166.5
[M+H-H2O]+ 261.06641 151.9
[M+HCOO]- 323.06735 180.6
[M+CH3COO]- 337.08300 200.9
[M+Na-2H]- 299.04382 166.4
[M]+ 278.06860 162.3
[M]- 278.06970 162.3
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.