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]+ 273.105606 160.0
[M+Na]+ 295.087548 166.9
[M-H]- 271.091054 166.7
[M+NH4]+ 290.132153 178.7
[M+K]+ 311.061488 161.6
[M+H-H2O]+ 255.095590 153.7
[M+HCOO]- 317.096531 176.9
[M+CH3COO]- 331.112181 171.4
[M+Na-2H]- 293.072996 159.7
[M]+ 272.09778142 156.9
[M]- 272.09887858 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