CID 6096778

N-phenethyl-2-sulfanyl-pyridine-3-carbothioamide

Structural Information

Molecular Formula
C14H14N2S2
SMILES
C1=CC=C(C=C1)CCNC(=S)C2=CC=CNC2=S
InChI
InChI=1S/C14H14N2S2/c17-13-12(7-4-9-15-13)14(18)16-10-8-11-5-2-1-3-6-11/h1-7,9H,8,10H2,(H,15,17)(H,16,18)
InChIKey
SMBQXOJWABXQBE-UHFFFAOYSA-N
Compound name
N-(2-phenylethyl)-2-sulfanylidene-1H-pyridine-3-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

274.05984 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.06712 157.0
[M+Na]+ 297.04906 164.3
[M-H]- 273.05256 160.4
[M+NH4]+ 292.09366 171.5
[M+K]+ 313.02300 155.8
[M+H-H2O]+ 257.05710 149.7
[M+HCOO]- 319.05804 168.2
[M+CH3COO]- 333.07369 167.2
[M+Na-2H]- 295.03451 158.6
[M]+ 274.05929 155.3
[M]- 274.06039 155.3
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.