CID 72551298

N-(1-methylethyl)-5-[2-(4-pyridinyl)ethynyl]-2-pyridinecarboxamide

Structural Information

Molecular Formula
C16H15N3O
SMILES
CC(C)NC(=O)C1=NC=C(C=C1)C#CC2=CC=NC=C2
InChI
InChI=1S/C16H15N3O/c1-12(2)19-16(20)15-6-5-14(11-18-15)4-3-13-7-9-17-10-8-13/h5-12H,1-2H3,(H,19,20)
InChIKey
STAFRSGTRKNXHF-UHFFFAOYSA-N
Compound name
N-propan-2-yl-5-(2-pyridin-4-ylethynyl)pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

2
Patents

265.12152 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.12880 165.4
[M+Na]+ 288.11074 173.3
[M-H]- 264.11424 166.1
[M+NH4]+ 283.15534 176.4
[M+K]+ 304.08468 167.3
[M+H-H2O]+ 248.11878 149.6
[M+HCOO]- 310.11972 179.8
[M+CH3COO]- 324.13537 204.9
[M+Na-2H]- 286.09619 168.1
[M]+ 265.12097 158.4
[M]- 265.12207 158.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe