CID 272506

N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide

Structural Information

Molecular Formula
C17H19NO3
SMILES
COC1=C(C=C(C=C1)CCNC(=O)C2=CC=CC=C2)OC
InChI
InChI=1S/C17H19NO3/c1-20-15-9-8-13(12-16(15)21-2)10-11-18-17(19)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,18,19)
InChIKey
MSFSOKSJYMQMBP-UHFFFAOYSA-N
Compound name
N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

15
Patents

285.1365 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.14378 166.5
[M+Na]+ 308.12572 172.6
[M-H]- 284.12922 173.0
[M+NH4]+ 303.17032 181.7
[M+K]+ 324.09966 169.6
[M+H-H2O]+ 268.13376 158.1
[M+HCOO]- 330.13470 190.7
[M+CH3COO]- 344.15035 203.7
[M+Na-2H]- 306.11117 170.6
[M]+ 285.13595 169.5
[M]- 285.13705 169.5
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