CID 56803

Sch 3721

Structural Information

Molecular Formula
C20H35N3O4
SMILES
CCC(CN1CCCCC1)(C(=O)NC(=O)CN2CCCCC2)C(=O)OCC
InChI
InChI=1S/C20H35N3O4/c1-3-20(19(26)27-4-2,16-23-13-9-6-10-14-23)18(25)21-17(24)15-22-11-7-5-8-12-22/h3-16H2,1-2H3,(H,21,24,25)
InChIKey
WROJVIAJQFEBOJ-UHFFFAOYSA-N
Compound name
ethyl 2-[(2-piperidin-1-ylacetyl)carbamoyl]-2-(piperidin-1-ylmethyl)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.26276 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.27004 194.5
[M+Na]+ 404.25198 191.7
[M-H]- 380.25548 195.0
[M+NH4]+ 399.29658 201.8
[M+K]+ 420.22592 190.2
[M+H-H2O]+ 364.26002 184.7
[M+HCOO]- 426.26096 203.4
[M+CH3COO]- 440.27661 219.3
[M+Na-2H]- 402.23743 192.2
[M]+ 381.26221 188.6
[M]- 381.26331 188.6
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