CID 6454617

Einecs 264-214-8

Structural Information

Molecular Formula
C17H15NO4
SMILES
COCCNC1=C2C(=C(C=C1)O)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C17H15NO4/c1-22-9-8-18-12-6-7-13(19)15-14(12)16(20)10-4-2-3-5-11(10)17(15)21/h2-7,18-19H,8-9H2,1H3
InChIKey
ANAJKKQWLIBRSM-UHFFFAOYSA-N
Compound name
1-hydroxy-4-(2-methoxyethylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.1001 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.107376 164.0
[M+Na]+ 320.089318 173.0
[M-H]- 296.092824 168.5
[M+NH4]+ 315.133923 180.8
[M+K]+ 336.063258 168.6
[M+H-H2O]+ 280.097360 156.9
[M+HCOO]- 342.098301 184.6
[M+CH3COO]- 356.113951 206.4
[M+Na-2H]- 318.074766 170.1
[M]+ 297.09955142 166.6
[M]- 297.10064858 166.6
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.