CID 53383652

2-amino-5-benzyl-n-cyclohexylthiophene-3-carboxamide

Structural Information

Molecular Formula
C18H22N2OS
SMILES
C1CCC(CC1)NC(=O)C2=C(SC(=C2)CC3=CC=CC=C3)N
InChI
InChI=1S/C18H22N2OS/c19-17-16(18(21)20-14-9-5-2-6-10-14)12-15(22-17)11-13-7-3-1-4-8-13/h1,3-4,7-8,12,14H,2,5-6,9-11,19H2,(H,20,21)
InChIKey
SAXBTWNNBKJBDI-UHFFFAOYSA-N
Compound name
2-amino-5-benzyl-N-cyclohexylthiophene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

314.1453 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.15258 173.6
[M+Na]+ 337.13452 183.4
[M+NH4]+ 332.17912 182.5
[M+K]+ 353.10846 176.0
[M-H]- 313.13802 180.5
[M+Na-2H]- 335.11997 181.1
[M]+ 314.14475 177.2
[M]- 314.14585 177.2
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.