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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	272.12813	162.8
[M+Na]+	294.11007	176.1
[M+NH4]+	289.15467	170.5
[M+K]+	310.08401	168.9
[M-H]-	270.11357	167.3
[M+Na-2H]-	292.09552	171.4
[M]+	271.12030	165.9
[M]-	271.12140	165.9

Literature stripe

literature stripe

Patent stripe

patents stripe