CID 118911741

Ly93

Structural Information

Molecular Formula
C21H20N2O2
SMILES
CCC1=CC=CC=C1COC2=CC=CC=C2C(=O)NC3=CN=CC=C3
InChI
InChI=1S/C21H20N2O2/c1-2-16-8-3-4-9-17(16)15-25-20-12-6-5-11-19(20)21(24)23-18-10-7-13-22-14-18/h3-14H,2,15H2,1H3,(H,23,24)
InChIKey
YRUSTWBJNUPPQI-UHFFFAOYSA-N
Compound name
2-[(2-ethylphenyl)methoxy]-N-pyridin-3-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

332.15247 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.15975 181.5
[M+Na]+ 355.14169 196.9
[M+NH4]+ 350.18629 189.2
[M+K]+ 371.11563 187.7
[M-H]- 331.14519 188.3
[M+Na-2H]- 353.12714 192.8
[M]+ 332.15192 185.7
[M]- 332.15302 185.7
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