CID 6435251

Alpha-benzylthiocinnamamide

Structural Information

Molecular Formula
C16H15NOS
SMILES
C1=CC=C(C=C1)CS/C(=C\C2=CC=CC=C2)/C(=O)N
InChI
InChI=1S/C16H15NOS/c17-16(18)15(11-13-7-3-1-4-8-13)19-12-14-9-5-2-6-10-14/h1-11H,12H2,(H2,17,18)/b15-11-
InChIKey
ILQWSISCLUIPHS-PTNGSMBKSA-N
Compound name
(Z)-2-benzylsulfanyl-3-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.08743 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.09471 162.2
[M+Na]+ 292.07665 167.4
[M-H]- 268.08015 167.7
[M+NH4]+ 287.12125 177.9
[M+K]+ 308.05059 161.8
[M+H-H2O]+ 252.08469 154.4
[M+HCOO]- 314.08563 179.7
[M+CH3COO]- 328.10128 197.4
[M+Na-2H]- 290.06210 163.4
[M]+ 269.08688 161.1
[M]- 269.08798 161.1
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.