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

25
Patents

311.07938 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.086656 166.0
[M+Na]+ 334.068598 174.8
[M-H]- 310.072104 170.6
[M+NH4]+ 329.113203 182.0
[M+K]+ 350.042538 171.2
[M+H-H2O]+ 294.076640 158.9
[M+HCOO]- 356.077581 185.8
[M+CH3COO]- 370.093231 207.6
[M+Na-2H]- 332.054046 171.1
[M]+ 311.07883142 168.5
[M]- 311.07992858 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