CID 16639539

2-amino-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Structural Information

Molecular Formula
C15H16N2OS
SMILES
C1CC2=C(CC1C3=CC=CC=C3)SC(=C2C(=O)N)N
InChI
InChI=1S/C15H16N2OS/c16-14(18)13-11-7-6-10(8-12(11)19-15(13)17)9-4-2-1-3-5-9/h1-5,10H,6-8,17H2,(H2,16,18)
InChIKey
YTKDAJZBVQKUNZ-UHFFFAOYSA-N
Compound name
2-amino-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

272.09833 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.10561 160.0
[M+Na]+ 295.08755 166.9
[M-H]- 271.09105 166.7
[M+NH4]+ 290.13215 178.7
[M+K]+ 311.06149 161.6
[M+H-H2O]+ 255.09559 153.7
[M+HCOO]- 317.09653 176.9
[M+CH3COO]- 331.11218 171.4
[M+Na-2H]- 293.07300 159.7
[M]+ 272.09778 156.9
[M]- 272.09888 156.9
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

patents stripe