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]+ 298.06786 161.4
[M+Na]+ 320.04980 170.7
[M+NH4]+ 315.09440 168.4
[M+K]+ 336.02374 162.2
[M-H]- 296.05330 165.1
[M+Na-2H]- 318.03525 166.1
[M]+ 297.06003 164.4
[M]- 297.06113 164.4
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

No patent data available for this compound.