CID 113243

Einecs 264-213-2

Structural Information

Molecular Formula
C19H20N2O4
SMILES
COCCNC1=C2C(=C(C=C1)NCCO)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C19H20N2O4/c1-25-11-9-21-15-7-6-14(20-8-10-22)16-17(15)19(24)13-5-3-2-4-12(13)18(16)23/h2-7,20-22H,8-11H2,1H3
InChIKey
COXQBOPCXFTAIX-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethylamino)-4-(2-methoxyethylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.1423 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.149576 175.8
[M+Na]+ 363.131518 182.9
[M-H]- 339.135024 179.7
[M+NH4]+ 358.176123 190.3
[M+K]+ 379.105458 178.2
[M+H-H2O]+ 323.139560 167.8
[M+HCOO]- 385.140501 196.6
[M+CH3COO]- 399.156151 217.7
[M+Na-2H]- 361.116966 181.4
[M]+ 340.14175142 178.3
[M]- 340.14284858 178.3
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.