CID 217176

38221-51-1

Structural Information

Molecular Formula
C12H15N3O2S2
SMILES
C1COCCN1C(=S)SCNC(=O)C2=CC=NC=C2
InChI
InChI=1S/C12H15N3O2S2/c16-11(10-1-3-13-4-2-10)14-9-19-12(18)15-5-7-17-8-6-15/h1-4H,5-9H2,(H,14,16)
InChIKey
XJHUCSFZHYDJRN-UHFFFAOYSA-N
Compound name
(pyridine-4-carbonylamino)methyl morpholine-4-carbodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.06058 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.067856 163.3
[M+Na]+ 320.049798 167.7
[M-H]- 296.053304 166.4
[M+NH4]+ 315.094403 174.4
[M+K]+ 336.023738 163.7
[M+H-H2O]+ 280.057840 155.1
[M+HCOO]- 342.058781 170.2
[M+CH3COO]- 356.074431 197.8
[M+Na-2H]- 318.035246 164.2
[M]+ 297.06003142 161.2
[M]- 297.06112858 161.2
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.