CID 367790

4-(4-ethoxyanilino)-1,2-naphthalenedione

Structural Information

Molecular Formula
C18H15NO3
SMILES
CCOC1=CC=C(C=C1)NC2=CC(=O)C(=O)C3=CC=CC=C32
InChI
InChI=1S/C18H15NO3/c1-2-22-13-9-7-12(8-10-13)19-16-11-17(20)18(21)15-6-4-3-5-14(15)16/h3-11,19H,2H2,1H3
InChIKey
DDFJWWONBPVCPM-UHFFFAOYSA-N
Compound name
4-(4-ethoxyanilino)naphthalene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

293.1052 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.11248 165.3
[M+Na]+ 316.09442 173.6
[M-H]- 292.09792 173.2
[M+NH4]+ 311.13902 181.4
[M+K]+ 332.06836 169.0
[M+H-H2O]+ 276.10246 156.9
[M+HCOO]- 338.10340 188.6
[M+CH3COO]- 352.11905 206.3
[M+Na-2H]- 314.07987 171.0
[M]+ 293.10465 166.7
[M]- 293.10575 166.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.