CID 73039

13018-50-3

Structural Information

Molecular Formula
C36H54N4O2
SMILES
CN1CCC(CC1)(CNC(=O)CCCCCCCCC(=O)NCC2(CCN(CC2)C)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C36H54N4O2/c1-39-25-21-35(22-26-39,31-15-9-7-10-16-31)29-37-33(41)19-13-5-3-4-6-14-20-34(42)38-30-36(23-27-40(2)28-24-36)32-17-11-8-12-18-32/h7-12,15-18H,3-6,13-14,19-30H2,1-2H3,(H,37,41)(H,38,42)
InChIKey
DMPYTENYPFANFS-UHFFFAOYSA-N
Compound name
N,N'-bis[(1-methyl-4-phenylpiperidin-4-yl)methyl]decanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

574.4247 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 575.43198 249.1
[M+Na]+ 597.41392 257.0
[M+NH4]+ 592.45852 256.0
[M+K]+ 613.38786 243.8
[M-H]- 573.41742 255.5
[M+Na-2H]- 595.39937 257.3
[M]+ 574.42415 252.0
[M]- 574.42525 252.0
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.