CID 85487

Bis[2-(diethylamino)ethyl] adipate

Structural Information

Molecular Formula
C18H36N2O4
SMILES
CCN(CC)CCOC(=O)CCCCC(=O)OCCN(CC)CC
InChI
InChI=1S/C18H36N2O4/c1-5-19(6-2)13-15-23-17(21)11-9-10-12-18(22)24-16-14-20(7-3)8-4/h5-16H2,1-4H3
InChIKey
RGAMPJYGTCSRAG-UHFFFAOYSA-N
Compound name
bis[2-(diethylamino)ethyl] hexanedioate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1983
Patents

344.26752 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.274796 191.9
[M+Na]+ 367.256738 192.8
[M-H]- 343.260244 192.9
[M+NH4]+ 362.301343 217.2
[M+K]+ 383.230678 194.0
[M+H-H2O]+ 327.264780 183.6
[M+HCOO]- 389.265721 214.1
[M+CH3COO]- 403.281371 226.2
[M+Na-2H]- 365.242186 189.2
[M]+ 344.26697142 201.5
[M]- 344.26806858 201.5
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

patents stripe