CID 5271645

N-(3-phenylpropyl)dithiolo[3,4-b]pyridin-3-imine

Structural Information

Molecular Formula
C15H14N2S2
SMILES
C1=CC=C(C=C1)CCCN=C2C3=C(N=CC=C3)SS2
InChI
InChI=1S/C15H14N2S2/c1-2-6-12(7-3-1)8-4-10-16-14-13-9-5-11-17-15(13)19-18-14/h1-3,5-7,9,11H,4,8,10H2
InChIKey
ZJMWEICMJCZZJR-UHFFFAOYSA-N
Compound name
N-(3-phenylpropyl)dithiolo[3,4-b]pyridin-3-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

286.05984 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.06712 160.1
[M+Na]+ 309.04906 171.3
[M-H]- 285.05256 168.2
[M+NH4]+ 304.09366 179.1
[M+K]+ 325.02300 164.5
[M+H-H2O]+ 269.05710 153.1
[M+HCOO]- 331.05804 177.4
[M+CH3COO]- 345.07369 173.1
[M+Na-2H]- 307.03451 164.4
[M]+ 286.05929 165.4
[M]- 286.06039 165.4
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.