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 219.2
[M+Na]+ 489.27239 220.3
[M-H]- 465.27589 224.6
[M+NH4]+ 484.31699 229.5
[M+K]+ 505.24633 218.4
[M+H-H2O]+ 449.28043 208.7
[M+HCOO]- 511.28137 237.1
[M+CH3COO]- 525.29702 250.3
[M+Na-2H]- 487.25784 217.7
[M]+ 466.28262 226.4
[M]- 466.28372 226.4
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.