CID 52996

9,10-anthracenedicarboxylic acid, 9,10-dihydro-, bis(2-(diethylamino)ethyl) ester, hydrochloride

Structural Information

Molecular Formula
C28H38N2O4
SMILES
CCN(CC)CCOC(=O)C1C2=CC=CC=C2C(C3=CC=CC=C13)C(=O)OCCN(CC)CC
InChI
InChI=1S/C28H38N2O4/c1-5-29(6-2)17-19-33-27(31)25-21-13-9-11-15-23(21)26(24-16-12-10-14-22(24)25)28(32)34-20-18-30(7-3)8-4/h9-16,25-26H,5-8,17-20H2,1-4H3
InChIKey
HXYIIAZJPLBINN-UHFFFAOYSA-N
Compound name
bis[2-(diethylamino)ethyl] 9,10-dihydroanthracene-9,10-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.28317 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.29045 216.6
[M+Na]+ 489.27239 225.9
[M+NH4]+ 484.31699 222.4
[M+K]+ 505.24633 218.5
[M-H]- 465.27589 219.7
[M+Na-2H]- 487.25784 219.1
[M]+ 466.28262 218.5
[M]- 466.28372 218.5
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.