CID 24842647

95945-98-5

Structural Information

Molecular Formula
C19H37N3O4
SMILES
CCN(CC)CCOC(=O)C1CCCC(N1)C(=O)OCCN(CC)CC
InChI
InChI=1S/C19H37N3O4/c1-5-21(6-2)12-14-25-18(23)16-10-9-11-17(20-16)19(24)26-15-13-22(7-3)8-4/h16-17,20H,5-15H2,1-4H3
InChIKey
BEWZUINSZIVJKC-UHFFFAOYSA-N
Compound name
bis[2-(diethylamino)ethyl] piperidine-2,6-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.2784 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.28568 195.2
[M+Na]+ 394.26762 194.2
[M-H]- 370.27112 196.1
[M+NH4]+ 389.31222 205.5
[M+K]+ 410.24156 194.5
[M+H-H2O]+ 354.27566 185.9
[M+HCOO]- 416.27660 211.6
[M+CH3COO]- 430.29225 227.3
[M+Na-2H]- 392.25307 191.2
[M]+ 371.27785 197.4
[M]- 371.27895 197.4
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.