CID 3009693

2-(dimethylamino)-5-methoxy-naphthalene-1,4-dione

Structural Information

Molecular Formula
C13H13NO3
SMILES
CN(C)C1=CC(=O)C2=C(C1=O)C=CC=C2OC
InChI
InChI=1S/C13H13NO3/c1-14(2)9-7-10(15)12-8(13(9)16)5-4-6-11(12)17-3/h4-7H,1-3H3
InChIKey
ASQBMJVUCNXVQP-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-5-methoxynaphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

231.08954 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.09682 146.9
[M+Na]+ 254.07876 156.3
[M-H]- 230.08226 153.6
[M+NH4]+ 249.12336 166.9
[M+K]+ 270.05270 154.9
[M+H-H2O]+ 214.08680 140.5
[M+HCOO]- 276.08774 171.1
[M+CH3COO]- 290.10339 198.7
[M+Na-2H]- 252.06421 152.3
[M]+ 231.08899 150.6
[M]- 231.09009 150.6
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.