CID 50370

69343-37-9

Structural Information

Molecular Formula
C17H19NO2
SMILES
CCOC1=CC=CC=C1C(=O)NCC2=CC=C(C=C2)C
InChI
InChI=1S/C17H19NO2/c1-3-20-16-7-5-4-6-15(16)17(19)18-12-14-10-8-13(2)9-11-14/h4-11H,3,12H2,1-2H3,(H,18,19)
InChIKey
MRMRZCUMKKNWSW-UHFFFAOYSA-N
Compound name
2-ethoxy-N-[(4-methylphenyl)methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

24
Patents

269.14157 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.148846 163.3
[M+Na]+ 292.130788 169.6
[M-H]- 268.134294 169.9
[M+NH4]+ 287.175393 179.4
[M+K]+ 308.104728 166.0
[M+H-H2O]+ 252.138830 155.2
[M+HCOO]- 314.139771 187.4
[M+CH3COO]- 328.155421 201.6
[M+Na-2H]- 290.116236 167.5
[M]+ 269.14102142 165.0
[M]- 269.14211858 165.0
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