CID 2274400

(3z)-n-benzyl-4-(4-chlorophenyl)-4-hydroxy-2-oxobut-3-enamide

Structural Information

Molecular Formula
C17H14ClNO3
SMILES
C1=CC=C(C=C1)CNC(=O)C(=O)/C=C(/C2=CC=C(C=C2)Cl)\O
InChI
InChI=1S/C17H14ClNO3/c18-14-8-6-13(7-9-14)15(20)10-16(21)17(22)19-11-12-4-2-1-3-5-12/h1-10,20H,11H2,(H,19,22)/b15-10-
InChIKey
LPMALURGKRATDC-GDNBJRDFSA-N
Compound name
(Z)-N-benzyl-4-(4-chlorophenyl)-4-hydroxy-2-oxobut-3-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.06622 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.073496 170.9
[M+Na]+ 338.055438 176.6
[M-H]- 314.058944 175.8
[M+NH4]+ 333.100043 184.6
[M+K]+ 354.029378 170.8
[M+H-H2O]+ 298.063480 164.0
[M+HCOO]- 360.064421 187.6
[M+CH3COO]- 374.080071 203.3
[M+Na-2H]- 336.040886 172.6
[M]+ 315.06567142 171.4
[M]- 315.06676858 171.4
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.