CID 9575108

N-[[3-oxo-3-phenyl-1-(2-pyridyl)propyl]amino]pyridine-2-carboxamidine

Structural Information

Molecular Formula
C20H19N5O
SMILES
C1=CC=C(C=C1)C(=O)CC(C2=CC=CC=N2)N/N=C(/C3=CC=CC=N3)\N
InChI
InChI=1S/C20H19N5O/c21-20(17-11-5-7-13-23-17)25-24-18(16-10-4-6-12-22-16)14-19(26)15-8-2-1-3-9-15/h1-13,18,24H,14H2,(H2,21,25)
InChIKey
IFCOQIHRFMNKCJ-UHFFFAOYSA-N
Compound name
N'-[(3-oxo-3-phenyl-1-pyridin-2-ylpropyl)amino]pyridine-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

345.15897 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.16625 180.3
[M+Na]+ 368.14819 182.9
[M-H]- 344.15169 187.1
[M+NH4]+ 363.19279 188.6
[M+K]+ 384.12213 177.9
[M+H-H2O]+ 328.15623 168.3
[M+HCOO]- 390.15717 202.7
[M+CH3COO]- 404.17282 220.5
[M+Na-2H]- 366.13364 186.0
[M]+ 345.15842 176.7
[M]- 345.15952 176.7
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.