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]+ 328.19072 180.2
[M+Na]+ 350.17266 184.5
[M-H]- 326.17616 184.8
[M+NH4]+ 345.21726 193.0
[M+K]+ 366.14660 180.0
[M+H-H2O]+ 310.18070 171.5
[M+HCOO]- 372.18164 201.9
[M+CH3COO]- 386.19729 210.2
[M+Na-2H]- 348.15811 182.3
[M]+ 327.18289 182.4
[M]- 327.18399 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.