CID 218625

Brn 0469784

Structural Information

Molecular Formula
C34H62N8O4
SMILES
CCCCNC(=O)N1CCC(CC1)(C(=O)N)N2CCCC(C2)CCC3CCCN(C3)C4(CCN(CC4)C(=O)NCCCC)C(=O)N
InChI
InChI=1S/C34H62N8O4/c1-3-5-17-37-31(45)39-21-13-33(14-22-39,29(35)43)41-19-7-9-27(25-41)11-12-28-10-8-20-42(26-28)34(30(36)44)15-23-40(24-16-34)32(46)38-18-6-4-2/h27-28H,3-26H2,1-2H3,(H2,35,43)(H2,36,44)(H,37,45)(H,38,46)
InChIKey
UDENZTJTQMYUBE-UHFFFAOYSA-N
Compound name
1-N-butyl-4-[3-[2-[1-[1-(butylcarbamoyl)-4-carbamoylpiperidin-4-yl]piperidin-3-yl]ethyl]piperidin-1-yl]piperidine-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

646.4894 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 647.49668 249.7
[M+Na]+ 669.47862 248.0
[M+NH4]+ 664.52322 251.6
[M+K]+ 685.45256 242.5
[M-H]- 645.48212 251.7
[M+Na-2H]- 667.46407 250.3
[M]+ 646.48885 248.9
[M]- 646.48995 248.9
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.