CID 72020638

1-[(3-{[(pyridin-2-yl)amino]methyl}phenyl)methyl]piperidine-3-carboxamide

Structural Information

Molecular Formula
C19H24N4O
SMILES
C1CC(CN(C1)CC2=CC=CC(=C2)CNC3=CC=CC=N3)C(=O)N
InChI
InChI=1S/C19H24N4O/c20-19(24)17-7-4-10-23(14-17)13-16-6-3-5-15(11-16)12-22-18-8-1-2-9-21-18/h1-3,5-6,8-9,11,17H,4,7,10,12-14H2,(H2,20,24)(H,21,22)
InChIKey
HBKHEEPGOPDHEE-UHFFFAOYSA-N
Compound name
1-[[3-[(pyridin-2-ylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.195 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.202276 178.0
[M+Na]+ 347.184218 180.6
[M-H]- 323.187724 183.1
[M+NH4]+ 342.228823 187.4
[M+K]+ 363.158158 175.1
[M+H-H2O]+ 307.192260 166.6
[M+HCOO]- 369.193201 195.8
[M+CH3COO]- 383.208851 213.1
[M+Na-2H]- 345.169666 180.6
[M]+ 324.19445142 171.4
[M]- 324.19554858 171.4
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.