CID 9575117

N-[[3-(4-chlorophenyl)-3-oxo-1-(3-pyridyl)propyl]amino]pyridine-2-carboxamidine

Structural Information

Molecular Formula
C20H18ClN5O
SMILES
C1=CC=NC(=C1)/C(=N/NC(CC(=O)C2=CC=C(C=C2)Cl)C3=CN=CC=C3)/N
InChI
InChI=1S/C20H18ClN5O/c21-16-8-6-14(7-9-16)19(27)12-18(15-4-3-10-23-13-15)25-26-20(22)17-5-1-2-11-24-17/h1-11,13,18,25H,12H2,(H2,22,26)
InChIKey
DRURHMRJYXYQIK-UHFFFAOYSA-N
Compound name
N'-[[3-(4-chlorophenyl)-3-oxo-1-pyridin-3-ylpropyl]amino]pyridine-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

379.12 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.12728 187.9
[M+Na]+ 402.10922 192.2
[M-H]- 378.11272 194.9
[M+NH4]+ 397.15382 196.0
[M+K]+ 418.08316 185.8
[M+H-H2O]+ 362.11726 176.5
[M+HCOO]- 424.11820 205.8
[M+CH3COO]- 438.13385 225.2
[M+Na-2H]- 400.09467 192.2
[M]+ 379.11945 187.2
[M]- 379.12055 187.2
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.