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 173.3
[M+Na]+ 337.13452 177.1
[M-H]- 313.13802 181.7
[M+NH4]+ 332.17912 188.9
[M+K]+ 353.10846 171.6
[M+H-H2O]+ 297.14256 165.4
[M+HCOO]- 359.14350 190.1
[M+CH3COO]- 373.15915 183.1
[M+Na-2H]- 335.11997 171.4
[M]+ 314.14475 168.8
[M]- 314.14585 168.8
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.