CID 3064580

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

Structural Information

Molecular Formula
C21H27NO3
SMILES
COC1=C(C=CC(=C1)CNC(=O)CCCCCCC2=CC=CC=C2)O
InChI
InChI=1S/C21H27NO3/c1-25-20-15-18(13-14-19(20)23)16-22-21(24)12-8-3-2-5-9-17-10-6-4-7-11-17/h4,6-7,10-11,13-15,23H,2-3,5,8-9,12,16H2,1H3,(H,22,24)
InChIKey
ONAHJHLNXUYDHS-UHFFFAOYSA-N
Compound name
N-[(4-hydroxy-3-methoxyphenyl)methyl]-7-phenylheptanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

341.1991 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.206376 184.7
[M+Na]+ 364.188318 188.6
[M-H]- 340.191824 189.0
[M+NH4]+ 359.232923 196.9
[M+K]+ 380.162258 183.9
[M+H-H2O]+ 324.196360 175.8
[M+HCOO]- 386.197301 206.0
[M+CH3COO]- 400.212951 213.2
[M+Na-2H]- 362.173766 186.3
[M]+ 341.19855142 187.3
[M]- 341.19964858 187.3
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