CID 5715515

853407-11-1

Structural Information

Molecular Formula
C15H14N2O2S2
SMILES
CN(C)C1=CC=C(C=C1)/C=C(\C#N)/S(=O)(=O)C2=CC=CS2
InChI
InChI=1S/C15H14N2O2S2/c1-17(2)13-7-5-12(6-8-13)10-14(11-16)21(18,19)15-4-3-9-20-15/h3-10H,1-2H3/b14-10+
InChIKey
OYYBQNFWCLVIFH-GXDHUFHOSA-N
Compound name
(E)-3-[4-(dimethylamino)phenyl]-2-thiophen-2-ylsulfonylprop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

318.04968 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.05696 190.9
[M+Na]+ 341.03890 201.0
[M-H]- 317.04240 198.4
[M+NH4]+ 336.08350 206.3
[M+K]+ 357.01284 195.8
[M+H-H2O]+ 301.04694 177.6
[M+HCOO]- 363.04788 201.3
[M+CH3COO]- 377.06353 215.3
[M+Na-2H]- 339.02435 189.1
[M]+ 318.04913 189.3
[M]- 318.05023 189.3
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.