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

793
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 175.5
[M+Na]+ 363.13152 182.2
[M-H]- 339.13502 178.1
[M+NH4]+ 358.17612 189.4
[M+K]+ 379.10546 176.8
[M+H-H2O]+ 323.13956 167.9
[M+HCOO]- 385.14050 194.8
[M+CH3COO]- 399.15615 215.5
[M+Na-2H]- 361.11697 180.8
[M]+ 340.14175 176.3
[M]- 340.14285 176.3
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

patents stripe