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]+ 318.089156 171.6
[M+Na]+ 340.071098 178.6
[M-H]- 316.074604 178.1
[M+NH4]+ 335.115703 186.4
[M+K]+ 356.045038 173.7
[M+H-H2O]+ 300.079140 164.3
[M+HCOO]- 362.080081 190.5
[M+CH3COO]- 376.095731 207.4
[M+Na-2H]- 338.056546 174.2
[M]+ 317.08133142 175.7
[M]- 317.08242858 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.