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 250.8
[M+Na]+ 669.47862 241.5
[M-H]- 645.48212 251.2
[M+NH4]+ 664.52322 246.5
[M+K]+ 685.45256 239.2
[M+H-H2O]+ 629.48666 238.2
[M+HCOO]- 691.48760 249.3
[M+CH3COO]- 705.50325 278.6
[M+Na-2H]- 667.46407 241.6
[M]+ 646.48885 235.6
[M]- 646.48995 235.6
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

No patent data available for this compound.