CID 3077172

Sr 45320a

Structural Information

Molecular Formula
C27H46N2O
SMILES
CCCCCCCCCCCC(=O)NCCCN1CCC(CC1)CC2=CC=CC=C2
InChI
InChI=1S/C27H46N2O/c1-2-3-4-5-6-7-8-9-13-17-27(30)28-20-14-21-29-22-18-26(19-23-29)24-25-15-11-10-12-16-25/h10-12,15-16,26H,2-9,13-14,17-24H2,1H3,(H,28,30)
InChIKey
KYALQXXYTWOWBF-UHFFFAOYSA-N
Compound name
N-[3-(4-benzylpiperidin-1-yl)propyl]dodecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.36102 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.36830 212.0
[M+Na]+ 437.35024 209.7
[M-H]- 413.35374 213.3
[M+NH4]+ 432.39484 220.0
[M+K]+ 453.32418 203.6
[M+H-H2O]+ 397.35828 200.7
[M+HCOO]- 459.35922 226.6
[M+CH3COO]- 473.37487 231.8
[M+Na-2H]- 435.33569 208.6
[M]+ 414.36047 211.4
[M]- 414.36157 211.4
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.