CID 83188

Pyridine, 4-(p-nitrobenzamido)-

Structural Information

Molecular Formula
C12H9N3O3
SMILES
C1=CC(=CC=C1C(=O)NC2=CC=NC=C2)[N+](=O)[O-]
InChI
InChI=1S/C12H9N3O3/c16-12(14-10-5-7-13-8-6-10)9-1-3-11(4-2-9)15(17)18/h1-8H,(H,13,14,16)
InChIKey
PJMSJOVJUFYHTQ-UHFFFAOYSA-N
Compound name
4-nitro-N-pyridin-4-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

243.06439 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.07167 149.5
[M+Na]+ 266.05361 155.3
[M-H]- 242.05711 155.1
[M+NH4]+ 261.09821 163.8
[M+K]+ 282.02755 148.4
[M+H-H2O]+ 226.06165 145.5
[M+HCOO]- 288.06259 174.8
[M+CH3COO]- 302.07824 187.2
[M+Na-2H]- 264.03906 158.6
[M]+ 243.06384 146.8
[M]- 243.06494 146.8
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