CID 37253

35697-34-8

Structural Information

Molecular Formula
C26H34N2O4
SMILES
CCN(CC)CCOC1=CC2=C(C=C1)C(=O)C3=C(C2=O)C=CC(=C3)OCCN(CC)CC
InChI
InChI=1S/C26H34N2O4/c1-5-27(6-2)13-15-31-19-9-11-21-23(17-19)25(29)22-12-10-20(18-24(22)26(21)30)32-16-14-28(7-3)8-4/h9-12,17-18H,5-8,13-16H2,1-4H3
InChIKey
IWVBCTKXORWDNV-UHFFFAOYSA-N
Compound name
2,6-bis[2-(diethylamino)ethoxy]anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

7
Patents

438.25186 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.25914 209.6
[M+Na]+ 461.24108 213.9
[M-H]- 437.24458 216.1
[M+NH4]+ 456.28568 221.8
[M+K]+ 477.21502 211.4
[M+H-H2O]+ 421.24912 199.4
[M+HCOO]- 483.25006 230.1
[M+CH3COO]- 497.26571 246.7
[M+Na-2H]- 459.22653 210.1
[M]+ 438.25131 218.3
[M]- 438.25241 218.3
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