CID 3023358

N-(3-acetyl-4-hydroxyphenyl)heptan-1-amide

Structural Information

Molecular Formula
C15H21NO3
SMILES
CCCCCCC(=O)NC1=CC(=C(C=C1)O)C(=O)C
InChI
InChI=1S/C15H21NO3/c1-3-4-5-6-7-15(19)16-12-8-9-14(18)13(10-12)11(2)17/h8-10,18H,3-7H2,1-2H3,(H,16,19)
InChIKey
YLBAPXILOGJWPD-UHFFFAOYSA-N
Compound name
N-(3-acetyl-4-hydroxyphenyl)heptanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.15213 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.159406 163.0
[M+Na]+ 286.141348 168.4
[M-H]- 262.144854 164.9
[M+NH4]+ 281.185953 178.9
[M+K]+ 302.115288 165.5
[M+H-H2O]+ 246.149390 156.3
[M+HCOO]- 308.150331 184.2
[M+CH3COO]- 322.165981 199.6
[M+Na-2H]- 284.126796 163.9
[M]+ 263.15158142 164.8
[M]- 263.15267858 164.8
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.