CID 80059

Ethyl 1-amino-9,10-dioxo-9,10-dihydroanthracene-2-carboxylate

Structural Information

Molecular Formula
C17H13NO4
SMILES
CCOC(=O)C1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)N
InChI
InChI=1S/C17H13NO4/c1-2-22-17(21)12-8-7-11-13(14(12)18)16(20)10-6-4-3-5-9(10)15(11)19/h3-8H,2,18H2,1H3
InChIKey
BEJYYZULZYIARA-UHFFFAOYSA-N
Compound name
ethyl 1-amino-9,10-dioxoanthracene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

295.08447 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.091746 163.8
[M+Na]+ 318.073688 173.3
[M-H]- 294.077194 169.3
[M+NH4]+ 313.118293 181.0
[M+K]+ 334.047628 169.3
[M+H-H2O]+ 278.081730 156.7
[M+HCOO]- 340.082671 184.4
[M+CH3COO]- 354.098321 207.7
[M+Na-2H]- 316.059136 168.1
[M]+ 295.08392142 165.8
[M]- 295.08501858 165.8
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

patents stripe