CID 6040479

Cinnamamide, alpha-(p-tolylthio)-

Structural Information

Molecular Formula
C16H15NOS
SMILES
CC1=CC=C(C=C1)S/C(=C\C2=CC=CC=C2)/C(=O)N
InChI
InChI=1S/C16H15NOS/c1-12-7-9-14(10-8-12)19-15(16(17)18)11-13-5-3-2-4-6-13/h2-11H,1H3,(H2,17,18)/b15-11-
InChIKey
DQEGXGSBWKTADQ-PTNGSMBKSA-N
Compound name
(Z)-2-(4-methylphenyl)sulfanyl-3-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.08743 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.09471 161.9
[M+Na]+ 292.07665 168.1
[M-H]- 268.08015 167.9
[M+NH4]+ 287.12125 177.9
[M+K]+ 308.05059 162.5
[M+H-H2O]+ 252.08469 154.4
[M+HCOO]- 314.08563 179.4
[M+CH3COO]- 328.10128 198.5
[M+Na-2H]- 290.06210 162.5
[M]+ 269.08688 161.3
[M]- 269.08798 161.3
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.