CID 6096779

N-(3-phenylpropyl)-2-sulfanyl-pyridine-3-carbothioamide

Structural Information

Molecular Formula
C15H16N2S2
SMILES
C1=CC=C(C=C1)CCCNC(=S)C2=CC=CNC2=S
InChI
InChI=1S/C15H16N2S2/c18-14(13-9-5-11-17-15(13)19)16-10-4-8-12-6-2-1-3-7-12/h1-3,5-7,9,11H,4,8,10H2,(H,16,18)(H,17,19)
InChIKey
VKMDWTMMXVUMIA-UHFFFAOYSA-N
Compound name
N-(3-phenylpropyl)-2-sulfanylidene-1H-pyridine-3-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.0755 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.08278 161.0
[M+Na]+ 311.06472 167.9
[M-H]- 287.06822 164.3
[M+NH4]+ 306.10932 175.0
[M+K]+ 327.03866 159.2
[M+H-H2O]+ 271.07276 153.5
[M+HCOO]- 333.07370 171.9
[M+CH3COO]- 347.08935 170.8
[M+Na-2H]- 309.05017 162.2
[M]+ 288.07495 159.7
[M]- 288.07605 159.7
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.