CID 6435668

Crotonanilide, 2-methyl-4'-sulfanilyl-

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]+ 331.111096 176.3
[M+Na]+ 353.093038 182.3
[M-H]- 329.096544 182.4
[M+NH4]+ 348.137643 189.5
[M+K]+ 369.066978 177.2
[M+H-H2O]+ 313.101080 168.4
[M+HCOO]- 375.102021 193.5
[M+CH3COO]- 389.117671 210.3
[M+Na-2H]- 351.078486 177.4
[M]+ 330.10327142 176.5
[M]- 330.10436858 176.5
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.