CID 106019

67905-11-7

Structural Information

Molecular Formula
C16H14N2O5
SMILES
C1=CC(=C2C(=C1N)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCO
InChI
InChI=1S/C16H14N2O5/c17-7-1-2-8(18-5-6-19)12-11(7)15(22)13-9(20)3-4-10(21)14(13)16(12)23/h1-4,18-21H,5-6,17H2
InChIKey
FKAQSUQGHZYXTL-UHFFFAOYSA-N
Compound name
1-amino-5,8-dihydroxy-4-(2-hydroxyethylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

314.09027 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.09755 169.1
[M+Na]+ 337.07949 180.4
[M+NH4]+ 332.12409 175.0
[M+K]+ 353.05343 175.5
[M-H]- 313.08299 170.6
[M+Na-2H]- 335.06494 171.2
[M]+ 314.08972 170.7
[M]- 314.09082 170.7
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

No patent data available for this compound.