CID 6096783

Akos033824994

Structural Information

Molecular Formula
C15H16N2OS
SMILES
C1=CC=C(C=C1)CCCNC(=O)C2=CC=CNC2=S
InChI
InChI=1S/C15H16N2OS/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
QVZBDAGZBMFLLS-UHFFFAOYSA-N
Compound name
N-(3-phenylpropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.09833 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.10561 160.9
[M+Na]+ 295.08755 167.4
[M-H]- 271.09105 164.6
[M+NH4]+ 290.13215 175.1
[M+K]+ 311.06149 160.7
[M+H-H2O]+ 255.09559 152.8
[M+HCOO]- 317.09653 177.6
[M+CH3COO]- 331.11218 195.5
[M+Na-2H]- 293.07300 163.8
[M]+ 272.09778 160.1
[M]- 272.09888 160.1
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.