CID 3077170

Sr 44944a

Structural Information

Molecular Formula
C26H44N2O
SMILES
CCCCCCCCCCCC(=O)NCCN1CCC(CC1)CC2=CC=CC=C2
InChI
InChI=1S/C26H44N2O/c1-2-3-4-5-6-7-8-9-13-16-26(29)27-19-22-28-20-17-25(18-21-28)23-24-14-11-10-12-15-24/h10-12,14-15,25H,2-9,13,16-23H2,1H3,(H,27,29)
InChIKey
KAIUHHMILLYBEB-UHFFFAOYSA-N
Compound name
N-[2-(4-benzylpiperidin-1-yl)ethyl]dodecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

400.34537 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.35265 207.7
[M+Na]+ 423.33459 205.9
[M-H]- 399.33809 209.3
[M+NH4]+ 418.37919 216.3
[M+K]+ 439.30853 200.0
[M+H-H2O]+ 383.34263 196.7
[M+HCOO]- 445.34357 222.7
[M+CH3COO]- 459.35922 228.8
[M+Na-2H]- 421.32004 204.9
[M]+ 400.34482 206.8
[M]- 400.34592 206.8
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

patents stripe