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]+ 315.152576 173.3
[M+Na]+ 337.134518 177.1
[M-H]- 313.138024 181.7
[M+NH4]+ 332.179123 188.9
[M+K]+ 353.108458 171.6
[M+H-H2O]+ 297.142560 165.4
[M+HCOO]- 359.143501 190.1
[M+CH3COO]- 373.159151 183.1
[M+Na-2H]- 335.119966 171.4
[M]+ 314.14475142 168.8
[M]- 314.14584858 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.