CID 47279

64081-82-9

Structural Information

Molecular Formula
C17H16ClNO3
SMILES
COC1=CC=CC=C1NC(=O)CCC(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C17H16ClNO3/c1-22-16-5-3-2-4-14(16)19-17(21)11-10-15(20)12-6-8-13(18)9-7-12/h2-9H,10-11H2,1H3,(H,19,21)
InChIKey
HFUYQYPSKLGMAB-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-N-(2-methoxyphenyl)-4-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.08188 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.08916 171.6
[M+Na]+ 340.07110 178.6
[M-H]- 316.07460 178.1
[M+NH4]+ 335.11570 186.4
[M+K]+ 356.04504 173.7
[M+H-H2O]+ 300.07914 164.3
[M+HCOO]- 362.08008 190.5
[M+CH3COO]- 376.09573 207.4
[M+Na-2H]- 338.05655 174.2
[M]+ 317.08133 175.7
[M]- 317.08243 175.7
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.