CID 3033271

Usaf mk-68

Structural Information

Molecular Formula
C14H14N4S2
SMILES
C1=CC=NC(=C1)CNC(=S)C(=S)NCC2=CC=CC=N2
InChI
InChI=1S/C14H14N4S2/c19-13(17-9-11-5-1-3-7-15-11)14(20)18-10-12-6-2-4-8-16-12/h1-8H,9-10H2,(H,17,19)(H,18,20)
InChIKey
QFEOJEIUNUYUJQ-UHFFFAOYSA-N
Compound name
N,N'-bis(pyridin-2-ylmethyl)ethanedithioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

302.06598 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.07326 162.2
[M+Na]+ 325.05520 173.2
[M+NH4]+ 320.09980 169.9
[M+K]+ 341.02914 162.8
[M-H]- 301.05870 166.5
[M+Na-2H]- 323.04065 170.3
[M]+ 302.06543 165.7
[M]- 302.06653 165.7
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

patents stripe