CID 531831

N-(2,5-dimethoxyphenyl)-4-methylbenzamide

Structural Information

Molecular Formula
C16H17NO3
SMILES
CC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)OC)OC
InChI
InChI=1S/C16H17NO3/c1-11-4-6-12(7-5-11)16(18)17-14-10-13(19-2)8-9-15(14)20-3/h4-10H,1-3H3,(H,17,18)
InChIKey
ALQVEQHAEAYEIF-UHFFFAOYSA-N
Compound name
N-(2,5-dimethoxyphenyl)-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

271.12085 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.128126 161.6
[M+Na]+ 294.110068 169.1
[M-H]- 270.113574 168.8
[M+NH4]+ 289.154673 177.8
[M+K]+ 310.084008 166.5
[M+H-H2O]+ 254.118110 153.7
[M+HCOO]- 316.119051 186.2
[M+CH3COO]- 330.134701 202.0
[M+Na-2H]- 292.095516 165.6
[M]+ 271.12030142 164.7
[M]- 271.12139858 164.7
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

No patent data available for this compound.