CID 6096782

N-phenethyl-2-sulfanyl-pyridine-3-carboxamide

Structural Information

Molecular Formula
C14H14N2OS
SMILES
C1=CC=C(C=C1)CCNC(=O)C2=CC=CNC2=S
InChI
InChI=1S/C14H14N2OS/c17-13(12-7-4-9-16-14(12)18)15-10-8-11-5-2-1-3-6-11/h1-7,9H,8,10H2,(H,15,17)(H,16,18)
InChIKey
CYLWGSPRYVNCJG-UHFFFAOYSA-N
Compound name
N-(2-phenylethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

258.08267 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.089946 156.6
[M+Na]+ 281.071888 163.5
[M-H]- 257.075394 160.5
[M+NH4]+ 276.116493 171.4
[M+K]+ 297.045828 157.1
[M+H-H2O]+ 241.079930 148.7
[M+HCOO]- 303.080871 173.6
[M+CH3COO]- 317.096521 192.5
[M+Na-2H]- 279.057336 160.0
[M]+ 258.08212142 155.5
[M]- 258.08321858 155.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.