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]+ 316.07350 170.9
[M+Na]+ 338.05544 176.6
[M-H]- 314.05894 175.8
[M+NH4]+ 333.10004 184.6
[M+K]+ 354.02938 170.8
[M+H-H2O]+ 298.06348 164.0
[M+HCOO]- 360.06442 187.6
[M+CH3COO]- 374.08007 203.3
[M+Na-2H]- 336.04089 172.6
[M]+ 315.06567 171.4
[M]- 315.06677 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.