CID 44150898

70321-15-2

Structural Information

Molecular Formula
C19H17NO5
SMILES
CCOC(=O)CCNC1=C2C(=C(C=C1)O)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C19H17NO5/c1-2-25-15(22)9-10-20-13-7-8-14(21)17-16(13)18(23)11-5-3-4-6-12(11)19(17)24/h3-8,20-21H,2,9-10H2,1H3
InChIKey
AMWRPHGVAUGJDB-UHFFFAOYSA-N
Compound name
ethyl 3-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

339.1107 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.117976 175.0
[M+Na]+ 362.099918 182.8
[M-H]- 338.103424 179.1
[M+NH4]+ 357.144523 189.8
[M+K]+ 378.073858 178.8
[M+H-H2O]+ 322.107960 167.5
[M+HCOO]- 384.108901 194.1
[M+CH3COO]- 398.124551 214.2
[M+Na-2H]- 360.085366 179.0
[M]+ 339.11015142 178.2
[M]- 339.11124858 178.2
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