CID 49767357

2-(3-acetyl-1h-indol-2-yl)naphthalene-1,4-dione

Structural Information

Molecular Formula
C20H13NO3
SMILES
CC(=O)C1=C(NC2=CC=CC=C21)C3=CC(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C20H13NO3/c1-11(22)18-14-8-4-5-9-16(14)21-19(18)15-10-17(23)12-6-2-3-7-13(12)20(15)24/h2-10,21H,1H3
InChIKey
FUSVSPCNSVQLQB-UHFFFAOYSA-N
Compound name
2-(3-acetyl-1H-indol-2-yl)naphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.08954 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.09682 171.9
[M+Na]+ 338.07876 182.7
[M-H]- 314.08226 179.0
[M+NH4]+ 333.12336 188.3
[M+K]+ 354.05270 175.9
[M+H-H2O]+ 298.08680 164.1
[M+HCOO]- 360.08774 191.6
[M+CH3COO]- 374.10339 183.8
[M+Na-2H]- 336.06421 174.8
[M]+ 315.08899 173.4
[M]- 315.09009 173.4
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.