CID 217175

38221-47-5

Structural Information

Molecular Formula
C13H18N4OS2
SMILES
CN1CCN(CC1)C(=S)SCNC(=O)C2=CN=CC=C2
InChI
InChI=1S/C13H18N4OS2/c1-16-5-7-17(8-6-16)13(19)20-10-15-12(18)11-3-2-4-14-9-11/h2-4,9H,5-8,10H2,1H3,(H,15,18)
InChIKey
WSTPMFPQCWWTMG-UHFFFAOYSA-N
Compound name
(pyridine-3-carbonylamino)methyl 4-methylpiperazine-1-carbodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.0922 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.09948 165.6
[M+Na]+ 333.08142 175.1
[M+NH4]+ 328.12602 172.4
[M+K]+ 349.05536 166.0
[M-H]- 309.08492 167.8
[M+Na-2H]- 331.06687 170.4
[M]+ 310.09165 168.2
[M]- 310.09275 168.2
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

No patent data available for this compound.