CID 5865115

853407-10-0

Structural Information

Molecular Formula
C17H14N2O3S
SMILES
CC(=O)NC1=CC=C(C=C1)/C=C(\C#N)/S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C17H14N2O3S/c1-13(20)19-15-9-7-14(8-10-15)11-17(12-18)23(21,22)16-5-3-2-4-6-16/h2-11H,1H3,(H,19,20)/b17-11+
InChIKey
KOXMPKKZTIHEEH-GZTJUZNOSA-N
Compound name
N-[4-[(E)-2-(benzenesulfonyl)-2-cyanoethenyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.0725 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.07978 173.2
[M+Na]+ 349.06172 183.7
[M+NH4]+ 344.10632 176.1
[M+K]+ 365.03566 173.4
[M-H]- 325.06522 168.3
[M+Na-2H]- 347.04717 177.4
[M]+ 326.07195 172.8
[M]- 326.07305 172.8
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.