CID 49767355

2-(6-acetyl-4-methylpyridin-2yl)-1,4-naphthoquinone

Structural Information

Molecular Formula
C18H13NO3
SMILES
CC1=CC(=NC(=C1)C(=O)C)C2=CC(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C18H13NO3/c1-10-7-15(11(2)20)19-16(8-10)14-9-17(21)12-5-3-4-6-13(12)18(14)22/h3-9H,1-2H3
InChIKey
KSKGXIDZDHMCKE-UHFFFAOYSA-N
Compound name
2-(6-acetyl-4-methyl-2-pyridinyl)naphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.08954 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.096816 164.7
[M+Na]+ 314.078758 174.8
[M-H]- 290.082264 171.8
[M+NH4]+ 309.123363 180.1
[M+K]+ 330.052698 170.0
[M+H-H2O]+ 274.086800 156.2
[M+HCOO]- 336.087741 184.8
[M+CH3COO]- 350.103391 205.3
[M+Na-2H]- 312.064206 168.2
[M]+ 291.08899142 166.5
[M]- 291.09008858 166.5
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.