CID 45051495

N-(4-(2-cyano-2-(2-thienylsulfonyl)ethenyl)phenyl)acetamide

Structural Information

Molecular Formula
C15H12N2O3S2
SMILES
CC(=O)NC1=CC=C(C=C1)/C=C(\C#N)/S(=O)(=O)C2=CC=CS2
InChI
InChI=1S/C15H12N2O3S2/c1-11(18)17-13-6-4-12(5-7-13)9-14(10-16)22(19,20)15-3-2-8-21-15/h2-9H,1H3,(H,17,18)/b14-9+
InChIKey
ZOIAIKIXPDLTNS-NTEUORMPSA-N
Compound name
N-[4-[(E)-2-cyano-2-thiophen-2-ylsulfonylethenyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.02893 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.03621 168.2
[M+Na]+ 355.01815 176.6
[M+NH4]+ 350.06275 171.3
[M+K]+ 370.99209 167.4
[M-H]- 331.02165 162.8
[M+Na-2H]- 353.00360 170.9
[M]+ 332.02838 167.6
[M]- 332.02948 167.6
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.