CID 116097

63981-46-4

Structural Information

Molecular Formula
C15H28N4O4
SMILES
CCOC(=O)N1CCN(CC1)CN2CCN(CC2)C(=O)OCC
InChI
InChI=1S/C15H28N4O4/c1-3-22-14(20)18-9-5-16(6-10-18)13-17-7-11-19(12-8-17)15(21)23-4-2/h3-13H2,1-2H3
InChIKey
UOCUDGZQFFDOMM-UHFFFAOYSA-N
Compound name
ethyl 4-[(4-ethoxycarbonylpiperazin-1-yl)methyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.21106 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.21834 181.9
[M+Na]+ 351.20028 183.7
[M-H]- 327.20378 180.9
[M+NH4]+ 346.24488 189.7
[M+K]+ 367.17422 182.2
[M+H-H2O]+ 311.20832 170.9
[M+HCOO]- 373.20926 191.0
[M+CH3COO]- 387.22491 206.4
[M+Na-2H]- 349.18573 179.8
[M]+ 328.21051 178.4
[M]- 328.21161 178.4
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.