CID 5383228

Nsc161628

Structural Information

Molecular Formula
C16H15NOS
SMILES
CC1=CC=C(C=C1)S/C=C/C(=O)NC2=CC=CC=C2
InChI
InChI=1S/C16H15NOS/c1-13-7-9-15(10-8-13)19-12-11-16(18)17-14-5-3-2-4-6-14/h2-12H,1H3,(H,17,18)/b12-11+
InChIKey
CSGJDCWORJRCAW-VAWYXSNFSA-N
Compound name
(E)-3-(4-methylphenyl)sulfanyl-N-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.08743 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.09471 161.3
[M+Na]+ 292.07665 167.9
[M-H]- 268.08015 167.8
[M+NH4]+ 287.12125 177.8
[M+K]+ 308.05059 162.2
[M+H-H2O]+ 252.08469 153.6
[M+HCOO]- 314.08563 180.5
[M+CH3COO]- 328.10128 197.6
[M+Na-2H]- 290.06210 164.0
[M]+ 269.08688 162.2
[M]- 269.08798 162.2
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.