CID 218415

40541-07-9

Structural Information

Molecular Formula
C32H60N6O4
SMILES
CCCCN(CCN(CCCC)C(=O)N1CCCC(C1)C(=O)N(CC)CC)C(=O)N2CCCC(C2)C(=O)N(CC)CC
InChI
InChI=1S/C32H60N6O4/c1-7-13-19-35(31(41)37-21-15-17-27(25-37)29(39)33(9-3)10-4)23-24-36(20-14-8-2)32(42)38-22-16-18-28(26-38)30(40)34(11-5)12-6/h27-28H,7-26H2,1-6H3
InChIKey
CUJDBEXTPXTNFT-UHFFFAOYSA-N
Compound name
1-N-butyl-1-N-[2-[butyl-[3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]ethyl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

592.4676 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 593.47488 244.1
[M+Na]+ 615.45682 243.4
[M+NH4]+ 610.50142 277.6
[M+K]+ 631.43076 241.3
[M-H]- 591.46032 244.7
[M+Na-2H]- 613.44227 241.9
[M]+ 592.46705 243.0
[M]- 592.46815 243.0
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.