CID 331140

Mls002701864

Structural Information

Molecular Formula
C22H28N4O4
SMILES
C1=CC2=C(C(=C1)NCCNCCO)C(=O)C3=C(C2=O)C(=CC=C3)NCCNCCO
InChI
InChI=1S/C22H28N4O4/c27-13-11-23-7-9-25-17-5-1-3-15-19(17)22(30)16-4-2-6-18(20(16)21(15)29)26-10-8-24-12-14-28/h1-6,23-28H,7-14H2
InChIKey
ZDHVBUZVBKISRJ-UHFFFAOYSA-N
Compound name
1,5-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

412.21106 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.21834 190.7
[M+Na]+ 435.20028 194.1
[M-H]- 411.20378 192.3
[M+NH4]+ 430.24488 200.7
[M+K]+ 451.17422 188.8
[M+H-H2O]+ 395.20832 181.8
[M+HCOO]- 457.20926 210.9
[M+CH3COO]- 471.22491 235.6
[M+Na-2H]- 433.18573 196.1
[M]+ 412.21051 191.1
[M]- 412.21161 191.1
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.