CID 41024

Brn 0493669

Structural Information

Molecular Formula
C20H25N3O
SMILES
CC(CN1CCCCC1)N(C2=CC=CC=N2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C20H25N3O/c1-17(16-22-14-8-3-9-15-22)23(19-12-6-7-13-21-19)20(24)18-10-4-2-5-11-18/h2,4-7,10-13,17H,3,8-9,14-16H2,1H3
InChIKey
LEACIZQDPHSLOO-UHFFFAOYSA-N
Compound name
N-(1-piperidin-1-ylpropan-2-yl)-N-pyridin-2-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.19977 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.20705 178.7
[M+Na]+ 346.18899 179.6
[M-H]- 322.19249 184.8
[M+NH4]+ 341.23359 188.7
[M+K]+ 362.16293 176.1
[M+H-H2O]+ 306.19703 166.9
[M+HCOO]- 368.19797 195.2
[M+CH3COO]- 382.21362 212.7
[M+Na-2H]- 344.17444 180.7
[M]+ 323.19922 173.7
[M]- 323.20032 173.7
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.