CID 2797865

4-nitro-n-[2-(pyridin-4-yl)ethyl]benzamide

Structural Information

Molecular Formula
C14H13N3O3
SMILES
C1=CC(=CC=C1C(=O)NCCC2=CC=NC=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H13N3O3/c18-14(12-1-3-13(4-2-12)17(19)20)16-10-7-11-5-8-15-9-6-11/h1-6,8-9H,7,10H2,(H,16,18)
InChIKey
FJJMKCXOAHZIIK-UHFFFAOYSA-N
Compound name
4-nitro-N-(2-pyridin-4-ylethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

271.0957 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.102976 159.1
[M+Na]+ 294.084918 163.9
[M-H]- 270.088424 164.2
[M+NH4]+ 289.129523 172.1
[M+K]+ 310.058858 156.5
[M+H-H2O]+ 254.092960 154.5
[M+HCOO]- 316.093901 183.6
[M+CH3COO]- 330.109551 193.2
[M+Na-2H]- 292.070366 167.0
[M]+ 271.09515142 156.9
[M]- 271.09624858 156.9
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

No patent data available for this compound.