CID 50291

3-nitro-1,2-bis(2-(diethylamino)ethoxy)anthraquinone dihydrochloride

Structural Information

Molecular Formula
C26H33N3O6
SMILES
CCN(CC)CCOC1=C(C=C2C(=C1OCCN(CC)CC)C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]
InChI
InChI=1S/C26H33N3O6/c1-5-27(6-2)13-15-34-25-21(29(32)33)17-20-22(26(25)35-16-14-28(7-3)8-4)24(31)19-12-10-9-11-18(19)23(20)30/h9-12,17H,5-8,13-16H2,1-4H3
InChIKey
FPRJQIRDTDVOOR-UHFFFAOYSA-N
Compound name
1,2-bis[2-(diethylamino)ethoxy]-3-nitroanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.23694 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.24422 215.7
[M+Na]+ 506.22616 226.5
[M+NH4]+ 501.27076 220.7
[M+K]+ 522.20010 222.1
[M-H]- 482.22966 219.9
[M+Na-2H]- 504.21161 217.6
[M]+ 483.23639 218.1
[M]- 483.23749 218.1
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.