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-methylpyridin-2-yl)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]+ 292.09682 164.7
[M+Na]+ 314.07876 174.8
[M-H]- 290.08226 171.8
[M+NH4]+ 309.12336 180.1
[M+K]+ 330.05270 170.0
[M+H-H2O]+ 274.08680 156.2
[M+HCOO]- 336.08774 184.8
[M+CH3COO]- 350.10339 205.3
[M+Na-2H]- 312.06421 168.2
[M]+ 291.08899 166.5
[M]- 291.09009 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.