CID 2177029

(2e)-n-cyclohexyl-2-(phenylformamido)-3-(thiophen-2-yl)prop-2-enamide

Structural Information

Molecular Formula
C20H22N2O2S
SMILES
C1CCC(CC1)NC(=O)/C(=C\C2=CC=CS2)/NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C20H22N2O2S/c23-19(15-8-3-1-4-9-15)22-18(14-17-12-7-13-25-17)20(24)21-16-10-5-2-6-11-16/h1,3-4,7-9,12-14,16H,2,5-6,10-11H2,(H,21,24)(H,22,23)/b18-14+
InChIKey
RGFOITBHAVTYPU-NBVRZTHBSA-N
Compound name
N-[(E)-3-(cyclohexylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.1402 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.14748 183.7
[M+Na]+ 377.12942 191.4
[M+NH4]+ 372.17402 191.0
[M+K]+ 393.10336 184.9
[M-H]- 353.13292 189.0
[M+Na-2H]- 375.11487 190.4
[M]+ 354.13965 186.3
[M]- 354.14075 186.3
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.