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]+ 324.207046 178.7
[M+Na]+ 346.188988 179.6
[M-H]- 322.192494 184.8
[M+NH4]+ 341.233593 188.7
[M+K]+ 362.162928 176.1
[M+H-H2O]+ 306.197030 166.9
[M+HCOO]- 368.197971 195.2
[M+CH3COO]- 382.213621 212.7
[M+Na-2H]- 344.174436 180.7
[M]+ 323.19922142 173.7
[M]- 323.20031858 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.