CID 669342

N-benzyl-3,4-dimethoxybenzamide

Structural Information

Molecular Formula
C16H17NO3
SMILES
COC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=C2)OC
InChI
InChI=1S/C16H17NO3/c1-19-14-9-8-13(10-15(14)20-2)16(18)17-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,17,18)
InChIKey
MKWVXVLEKSXJMR-UHFFFAOYSA-N
Compound name
N-benzyl-3,4-dimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

271.12085 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.12813 161.8
[M+Na]+ 294.11007 168.4
[M-H]- 270.11357 168.6
[M+NH4]+ 289.15467 177.7
[M+K]+ 310.08401 165.7
[M+H-H2O]+ 254.11811 153.7
[M+HCOO]- 316.11905 186.4
[M+CH3COO]- 330.13470 200.7
[M+Na-2H]- 292.09552 166.5
[M]+ 271.12030 164.5
[M]- 271.12140 164.5
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