CID 75441

Brn 1270224

Structural Information

Molecular Formula
C26H37N3O
SMILES
C1CCN(CC1)CCC(CCN2CCCCC2)(C3=CC=CC4=CC=CC=C43)C(=O)N
InChI
InChI=1S/C26H37N3O/c27-25(30)26(14-20-28-16-5-1-6-17-28,15-21-29-18-7-2-8-19-29)24-13-9-11-22-10-3-4-12-23(22)24/h3-4,9-13H,1-2,5-8,14-21H2,(H2,27,30)
InChIKey
BEHGHYQVNYVAMD-UHFFFAOYSA-N
Compound name
2-naphthalen-1-yl-4-piperidin-1-yl-2-(2-piperidin-1-ylethyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.29367 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.30095 202.4
[M+Na]+ 430.28289 200.2
[M-H]- 406.28639 205.6
[M+NH4]+ 425.32749 208.7
[M+K]+ 446.25683 193.7
[M+H-H2O]+ 390.29093 190.0
[M+HCOO]- 452.29187 210.2
[M+CH3COO]- 466.30752 226.8
[M+Na-2H]- 428.26834 202.2
[M]+ 407.29312 192.0
[M]- 407.29422 192.0
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.