CID 103229

1-((ethoxycarbonyl)amino)-4-hydroxyanthraquinone

Structural Information

Molecular Formula
C17H13NO5
SMILES
CCOC(=O)NC1=C2C(=C(C=C1)O)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C17H13NO5/c1-2-23-17(22)18-11-7-8-12(19)14-13(11)15(20)9-5-3-4-6-10(9)16(14)21/h3-8,19H,2H2,1H3,(H,18,22)
InChIKey
FRCUOSOKVVEYMN-UHFFFAOYSA-N
Compound name
ethyl N-(4-hydroxy-9,10-dioxoanthracen-1-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

311.07938 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.08666 166.0
[M+Na]+ 334.06860 174.8
[M-H]- 310.07210 170.6
[M+NH4]+ 329.11320 182.0
[M+K]+ 350.04254 171.2
[M+H-H2O]+ 294.07664 158.9
[M+HCOO]- 356.07758 185.8
[M+CH3COO]- 370.09323 207.6
[M+Na-2H]- 332.05405 171.1
[M]+ 311.07883 168.5
[M]- 311.07993 168.5
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

patents stripe