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 185.1
[M+Na]+ 377.12942 185.9
[M-H]- 353.13292 193.1
[M+NH4]+ 372.17402 198.3
[M+K]+ 393.10336 181.0
[M+H-H2O]+ 337.13746 176.6
[M+HCOO]- 399.13840 200.3
[M+CH3COO]- 413.15405 212.6
[M+Na-2H]- 375.11487 182.6
[M]+ 354.13965 180.1
[M]- 354.14075 180.1
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.