CID 5271641

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

Structural Information

Molecular Formula
C10H12N2S2
SMILES
CCCCN=C1C2=C(N=CC=C2)SS1
InChI
InChI=1S/C10H12N2S2/c1-2-3-6-11-9-8-5-4-7-12-10(8)14-13-9/h4-5,7H,2-3,6H2,1H3
InChIKey
VSVBTHVUUJVJQA-UHFFFAOYSA-N
Compound name
N-butyldithiolo[3,4-b]pyridin-3-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

224.04419 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.051466 143.3
[M+Na]+ 247.033408 154.9
[M-H]- 223.036914 148.6
[M+NH4]+ 242.078013 165.1
[M+K]+ 263.007348 150.0
[M+H-H2O]+ 207.041450 137.4
[M+HCOO]- 269.042391 160.4
[M+CH3COO]- 283.058041 157.3
[M+Na-2H]- 245.018856 147.4
[M]+ 224.04364142 149.3
[M]- 224.04473858 149.3
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.