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]+ 355.147476 185.1
[M+Na]+ 377.129418 185.9
[M-H]- 353.132924 193.1
[M+NH4]+ 372.174023 198.3
[M+K]+ 393.103358 181.0
[M+H-H2O]+ 337.137460 176.6
[M+HCOO]- 399.138401 200.3
[M+CH3COO]- 413.154051 212.6
[M+Na-2H]- 375.114866 182.6
[M]+ 354.13965142 180.1
[M]- 354.14074858 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.