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]+ 366.25398 192.3
[M+Na]+ 388.23592 192.8
[M-H]- 364.23942 198.2
[M+NH4]+ 383.28052 200.8
[M+K]+ 404.20986 188.6
[M+H-H2O]+ 348.24396 180.1
[M+HCOO]- 410.24490 207.7
[M+CH3COO]- 424.26055 222.6
[M+Na-2H]- 386.22137 191.9
[M]+ 365.24615 188.7
[M]- 365.24725 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.