CID 5271644

N-phenethyldithiolo[3,4-b]pyridin-3-imine

Structural Information

Molecular Formula
C14H12N2S2
SMILES
C1=CC=C(C=C1)CCN=C2C3=C(N=CC=C3)SS2
InChI
InChI=1S/C14H12N2S2/c1-2-5-11(6-3-1)8-10-16-14-12-7-4-9-15-13(12)17-18-14/h1-7,9H,8,10H2
InChIKey
YRAUEVINBOPLTI-UHFFFAOYSA-N
Compound name
N-(2-phenylethyl)dithiolo[3,4-b]pyridin-3-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.0442 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.05148 155.8
[M+Na]+ 295.03342 167.5
[M-H]- 271.03692 164.1
[M+NH4]+ 290.07802 175.4
[M+K]+ 311.00736 161.0
[M+H-H2O]+ 255.04146 149.1
[M+HCOO]- 317.04240 173.5
[M+CH3COO]- 331.05805 169.3
[M+Na-2H]- 293.01887 160.7
[M]+ 272.04365 160.9
[M]- 272.04475 160.9
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.