CID 105526

67674-26-4

Structural Information

Molecular Formula
C19H20N2O4
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NCCO)NCCCO
InChI
InChI=1S/C19H20N2O4/c22-10-3-8-20-14-6-7-15(21-9-11-23)17-16(14)18(24)12-4-1-2-5-13(12)19(17)25/h1-2,4-7,20-23H,3,8-11H2
InChIKey
XWIBNOGPNKMAPE-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethylamino)-4-(3-hydroxypropylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

792
Patents

340.1423 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.14958 178.9
[M+Na]+ 363.13152 190.2
[M+NH4]+ 358.17612 185.4
[M+K]+ 379.10546 183.2
[M-H]- 339.13502 181.4
[M+Na-2H]- 361.11697 182.2
[M]+ 340.14175 180.9
[M]- 340.14285 180.9
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