CID 153166

9,10-anthracenedione, 1,4-bis((2-(diethylamino)ethyl)amino)-

Structural Information

Molecular Formula
C26H36N4O2
SMILES
CCN(CC)CCNC1=C2C(=C(C=C1)NCCN(CC)CC)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C26H36N4O2/c1-5-29(6-2)17-15-27-21-13-14-22(28-16-18-30(7-3)8-4)24-23(21)25(31)19-11-9-10-12-20(19)26(24)32/h9-14,27-28H,5-8,15-18H2,1-4H3
InChIKey
SKFYKJLSKFOQLM-UHFFFAOYSA-N
Compound name
1,4-bis[2-(diethylamino)ethylamino]anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

21
Patents

436.2838 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.29108 209.5
[M+Na]+ 459.27302 212.5
[M-H]- 435.27652 215.8
[M+NH4]+ 454.31762 221.2
[M+K]+ 475.24696 209.0
[M+H-H2O]+ 419.28106 199.2
[M+HCOO]- 481.28200 231.7
[M+CH3COO]- 495.29765 252.9
[M+Na-2H]- 457.25847 211.0
[M]+ 436.28325 214.1
[M]- 436.28435 214.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe