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

137
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 176.3
[M+Na]+ 388.99935 182.3
[M-H]- 365.00285 179.6
[M+NH4]+ 384.04395 186.5
[M+K]+ 404.97329 172.9
[M+H-H2O]+ 349.00739 167.9
[M+HCOO]- 411.00833 176.1
[M+CH3COO]- 425.02398 183.4
[M+Na-2H]- 386.98480 177.7
[M]+ 366.00958 174.4
[M]- 366.01068 174.4
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