CID 327121

4-methoxy-n-pyridin-3-yl-benzamide

Structural Information

Molecular Formula
C13H12N2O2
SMILES
COC1=CC=C(C=C1)C(=O)NC2=CN=CC=C2
InChI
InChI=1S/C13H12N2O2/c1-17-12-6-4-10(5-7-12)13(16)15-11-3-2-8-14-9-11/h2-9H,1H3,(H,15,16)
InChIKey
UZFNEWHJUPYYSZ-UHFFFAOYSA-N
Compound name
4-methoxy-N-pyridin-3-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

2
Patents

228.08987 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.09715 149.4
[M+Na]+ 251.07909 156.4
[M-H]- 227.08259 154.8
[M+NH4]+ 246.12369 165.4
[M+K]+ 267.05303 153.5
[M+H-H2O]+ 211.08713 140.9
[M+HCOO]- 273.08807 173.5
[M+CH3COO]- 287.10372 191.1
[M+Na-2H]- 249.06454 156.6
[M]+ 228.08932 149.7
[M]- 228.09042 149.7
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