CID 38071

38591-52-5

Structural Information

Molecular Formula
C26H35N3O
SMILES
C1CCN(CC1)C2=CC=C(C=C2)CCNC(=O)CC3=CC=C(C=C3)N4CCCCC4
InChI
InChI=1S/C26H35N3O/c30-26(21-23-9-13-25(14-10-23)29-19-5-2-6-20-29)27-16-15-22-7-11-24(12-8-22)28-17-3-1-4-18-28/h7-14H,1-6,15-21H2,(H,27,30)
InChIKey
IGZSOTNBAPYRHK-UHFFFAOYSA-N
Compound name
2-(4-piperidin-1-ylphenyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

405.278 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.28528 202.2
[M+Na]+ 428.26722 200.5
[M-H]- 404.27072 208.5
[M+NH4]+ 423.31182 207.7
[M+K]+ 444.24116 193.8
[M+H-H2O]+ 388.27526 188.5
[M+HCOO]- 450.27620 213.8
[M+CH3COO]- 464.29185 206.8
[M+Na-2H]- 426.25267 200.6
[M]+ 405.27745 192.1
[M]- 405.27855 192.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe