CID 162345590

Ns00133520

Structural Information

Molecular Formula
C14H19NO4
SMILES
CCCC(=O)NC1=CC(=C(C=C1)OCCO)C(=O)C
InChI
InChI=1S/C14H19NO4/c1-3-4-14(18)15-11-5-6-13(19-8-7-16)12(9-11)10(2)17/h5-6,9,16H,3-4,7-8H2,1-2H3,(H,15,18)
InChIKey
WRKSEVUIJWKASK-UHFFFAOYSA-N
Compound name
N-[3-acetyl-4-(2-hydroxyethoxy)phenyl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1314 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.138676 161.2
[M+Na]+ 288.120618 166.8
[M-H]- 264.124124 163.2
[M+NH4]+ 283.165223 176.8
[M+K]+ 304.094558 164.8
[M+H-H2O]+ 248.128660 154.4
[M+HCOO]- 310.129601 182.8
[M+CH3COO]- 324.145251 198.7
[M+Na-2H]- 286.106066 162.7
[M]+ 265.13085142 164.0
[M]- 265.13194858 164.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.