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]+ 341.14958 175.8
[M+Na]+ 363.13152 182.9
[M-H]- 339.13502 179.7
[M+NH4]+ 358.17612 190.3
[M+K]+ 379.10546 178.2
[M+H-H2O]+ 323.13956 167.8
[M+HCOO]- 385.14050 196.6
[M+CH3COO]- 399.15615 217.7
[M+Na-2H]- 361.11697 181.4
[M]+ 340.14175 178.3
[M]- 340.14285 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.