CID 3064575

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

Structural Information

Molecular Formula
C19H23NO3
SMILES
COC1=C(C=CC(=C1)CNC(=O)CCCCC2=CC=CC=C2)O
InChI
InChI=1S/C19H23NO3/c1-23-18-13-16(11-12-17(18)21)14-20-19(22)10-6-5-9-15-7-3-2-4-8-15/h2-4,7-8,11-13,21H,5-6,9-10,14H2,1H3,(H,20,22)
InChIKey
JKOZLXNERUIICC-UHFFFAOYSA-N
Compound name
N-[(4-hydroxy-3-methoxyphenyl)methyl]-5-phenylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

313.1678 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.175076 175.7
[M+Na]+ 336.157018 180.5
[M-H]- 312.160524 180.5
[M+NH4]+ 331.201623 189.1
[M+K]+ 352.130958 176.2
[M+H-H2O]+ 296.165060 167.2
[M+HCOO]- 358.166001 197.7
[M+CH3COO]- 372.181651 207.2
[M+Na-2H]- 334.142466 178.3
[M]+ 313.16725142 177.6
[M]- 313.16834858 177.6
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