CID 112840

62418-35-3

Structural Information

Molecular Formula
C17H15NO5
SMILES
COCCNC1=CC(=C2C(=C1O)C(=O)C3=CC=CC=C3C2=O)O
InChI
InChI=1S/C17H15NO5/c1-23-7-6-18-11-8-12(19)13-14(17(11)22)16(21)10-5-3-2-4-9(10)15(13)20/h2-5,8,18-19,22H,6-7H2,1H3
InChIKey
OWPAMDNNHHBXRM-UHFFFAOYSA-N
Compound name
1,4-dihydroxy-2-(2-methoxyethylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

313.09503 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.10231 169.4
[M+Na]+ 336.08425 182.3
[M+NH4]+ 331.12885 176.2
[M+K]+ 352.05819 176.0
[M-H]- 312.08775 171.3
[M+Na-2H]- 334.06970 172.8
[M]+ 313.09448 171.5
[M]- 313.09558 171.5
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