CID 3002818

Chembl327630

Structural Information

Molecular Formula
C20H21ClN2O2
SMILES
CCN(CC)C(=O)/C(=C(/C1=CC=CC=C1)\Cl)/NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C20H21ClN2O2/c1-3-23(4-2)20(25)18(17(21)15-11-7-5-8-12-15)22-19(24)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3,(H,22,24)/b18-17+
InChIKey
BXWKSHMWRTWJGG-ISLYRVAYSA-N
Compound name
N-[(E)-1-chloro-3-(diethylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

356.12915 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.13643 186.4
[M+Na]+ 379.11837 189.4
[M-H]- 355.12187 193.2
[M+NH4]+ 374.16297 199.1
[M+K]+ 395.09231 185.1
[M+H-H2O]+ 339.12641 178.2
[M+HCOO]- 401.12735 203.9
[M+CH3COO]- 415.14300 219.9
[M+Na-2H]- 377.10382 186.0
[M]+ 356.12860 188.0
[M]- 356.12970 188.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.