CID 58035955

1158958-94-1

Structural Information

Molecular Formula
C14H14N4S4
SMILES
CN(C1=CC=NC=C1)C(=S)SSC(=S)N(C)C2=CC=NC=C2
InChI
InChI=1S/C14H14N4S4/c1-17(11-3-7-15-8-4-11)13(19)21-22-14(20)18(2)12-5-9-16-10-6-12/h3-10H,1-2H3
InChIKey
PVZGPMRTEJHLMS-UHFFFAOYSA-N
Compound name
[methyl(pyridin-4-yl)carbamothioyl]sulfanyl N-methyl-N-pyridin-4-ylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

126
Patents

366.01013 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.01741 164.6
[M+Na]+ 388.99935 173.9
[M+NH4]+ 384.04395 172.6
[M+K]+ 404.97329 162.5
[M-H]- 365.00285 169.3
[M+Na-2H]- 386.98480 171.4
[M]+ 366.00958 168.9
[M]- 366.01068 168.9
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