CID 3064573

Benzenehexanamide, n-((4-hydroxy-3-methoxyphenyl)methyl)-

Structural Information

Molecular Formula
C20H25NO3
SMILES
COC1=C(C=CC(=C1)CNC(=O)CCCCCC2=CC=CC=C2)O
InChI
InChI=1S/C20H25NO3/c1-24-19-14-17(12-13-18(19)22)15-21-20(23)11-7-3-6-10-16-8-4-2-5-9-16/h2,4-5,8-9,12-14,22H,3,6-7,10-11,15H2,1H3,(H,21,23)
InChIKey
KXHILZDGEJCSNY-UHFFFAOYSA-N
Compound name
N-[(4-hydroxy-3-methoxyphenyl)methyl]-6-phenylhexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

327.18344 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.190716 180.2
[M+Na]+ 350.172658 184.5
[M-H]- 326.176164 184.8
[M+NH4]+ 345.217263 193.0
[M+K]+ 366.146598 180.0
[M+H-H2O]+ 310.180700 171.5
[M+HCOO]- 372.181641 201.9
[M+CH3COO]- 386.197291 210.2
[M+Na-2H]- 348.158106 182.3
[M]+ 327.18289142 182.4
[M]- 327.18398858 182.4
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.