CID 3041482

Brn 0443074

Structural Information

Molecular Formula
C23H31N3O
SMILES
CCC(=O)N(C1=CC=CC=N1)C(C)CN2CCC(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C23H31N3O/c1-3-23(27)26(22-11-7-8-14-24-22)19(2)18-25-15-12-21(13-16-25)17-20-9-5-4-6-10-20/h4-11,14,19,21H,3,12-13,15-18H2,1-2H3
InChIKey
AHJYPRKLVHENPQ-UHFFFAOYSA-N
Compound name
N-[1-(4-benzylpiperidin-1-yl)propan-2-yl]-N-pyridin-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.2467 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.253976 192.3
[M+Na]+ 388.235918 192.8
[M-H]- 364.239424 198.2
[M+NH4]+ 383.280523 200.8
[M+K]+ 404.209858 188.6
[M+H-H2O]+ 348.243960 180.1
[M+HCOO]- 410.244901 207.7
[M+CH3COO]- 424.260551 222.6
[M+Na-2H]- 386.221366 191.9
[M]+ 365.24615142 188.7
[M]- 365.24724858 188.7
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.