CID 6435668

2-methyl-4'-sulfanilylcrotonanilide

Structural Information

Molecular Formula
C17H18N2O3S
SMILES
C/C=C(\C)/C(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C17H18N2O3S/c1-3-12(2)17(20)19-14-6-10-16(11-7-14)23(21,22)15-8-4-13(18)5-9-15/h3-11H,18H2,1-2H3,(H,19,20)/b12-3+
InChIKey
FKYCJJALFXMHNX-KGVSQERTSA-N
Compound name
(E)-N-[4-(4-aminophenyl)sulfonylphenyl]-2-methylbut-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.10382 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.11110 176.0
[M+Na]+ 353.09304 186.1
[M+NH4]+ 348.13764 181.9
[M+K]+ 369.06698 179.3
[M-H]- 329.09654 178.9
[M+Na-2H]- 351.07849 182.3
[M]+ 330.10327 178.5
[M]- 330.10437 178.5
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.