CID 1591137

302552-86-9

Structural Information

Molecular Formula
C19H17N3O2S
SMILES
C1CCC2=C(C1)C(=C(S2)NC(=O)/C(=C/C3=CC=CC=C3)/C#N)C(=O)N
InChI
InChI=1S/C19H17N3O2S/c20-11-13(10-12-6-2-1-3-7-12)18(24)22-19-16(17(21)23)14-8-4-5-9-15(14)25-19/h1-3,6-7,10H,4-5,8-9H2,(H2,21,23)(H,22,24)/b13-10+
InChIKey
KJTVGOIEVUTGIS-JLHYYAGUSA-N
Compound name
2-[[(E)-2-cyano-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.10416 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.11144 181.9
[M+Na]+ 374.09338 189.7
[M+NH4]+ 369.13798 185.4
[M+K]+ 390.06732 180.8
[M-H]- 350.09688 177.8
[M+Na-2H]- 372.07883 183.2
[M]+ 351.10361 181.1
[M]- 351.10471 181.1
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

No patent data available for this compound.