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]+ 272.12813 161.6
[M+Na]+ 294.11007 169.1
[M-H]- 270.11357 168.8
[M+NH4]+ 289.15467 177.8
[M+K]+ 310.08401 166.5
[M+H-H2O]+ 254.11811 153.7
[M+HCOO]- 316.11905 186.2
[M+CH3COO]- 330.13470 202.0
[M+Na-2H]- 292.09552 165.6
[M]+ 271.12030 164.7
[M]- 271.12140 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.