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 195.5
[M+Na]+ 355.01815 205.0
[M-H]- 331.02165 201.6
[M+NH4]+ 350.06275 209.5
[M+K]+ 370.99209 199.1
[M+H-H2O]+ 315.02619 182.3
[M+HCOO]- 377.02713 204.8
[M+CH3COO]- 391.04278 213.6
[M+Na-2H]- 353.00360 193.5
[M]+ 332.02838 192.6
[M]- 332.02948 192.6
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.