CID 3040997

Brn 2993315

Structural Information

Molecular Formula

C₂₁H₃₅NO₃

SMILES

CCCCCCCCCCCCNC(=O)CC1=CC(=C(C=C1)O)OC

InChI

InChI=1S/C21H35NO3/c1-3-4-5-6-7-8-9-10-11-12-15-22-21(24)17-18-13-14-19(23)20(16-18)25-2/h13-14,16,23H,3-12,15,17H2,1-2H3,(H,22,24)

InChIKey

RKJUCUQACSSXQI-UHFFFAOYSA-N

Compound name

N-dodecyl-2-(4-hydroxy-3-methoxyphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 349.2617 Da
Monoisotopic Mass: 6.3
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]+	350.268976	191.2
[M+Na]+	372.250918	193.8
[M-H]-	348.254424	191.7
[M+NH4]+	367.295523	203.6
[M+K]+	388.224858	189.6
[M+H-H2O]+	332.258960	183.0
[M+HCOO]-	394.259901	211.0
[M+CH3COO]-	408.275551	217.4
[M+Na-2H]-	370.236366	190.1
[M]+	349.26115142	196.4
[M]-	349.26224858	196.4

Literature stripe

literature stripe

Patent stripe

patents stripe