CID 37979

38221-49-7

Structural Information

Molecular Formula
C10H13N3OS2
SMILES
CN(C)C(=S)SCNC(=O)C1=CC=NC=C1
InChI
InChI=1S/C10H13N3OS2/c1-13(2)10(15)16-7-12-9(14)8-3-5-11-6-4-8/h3-6H,7H2,1-2H3,(H,12,14)
InChIKey
JLSQCKFMTNAJKA-UHFFFAOYSA-N
Compound name
(pyridine-4-carbonylamino)methyl N,N-dimethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.05 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.05728 154.5
[M+Na]+ 278.03922 160.1
[M-H]- 254.04272 157.4
[M+NH4]+ 273.08382 170.5
[M+K]+ 294.01316 156.3
[M+H-H2O]+ 238.04726 146.7
[M+HCOO]- 300.04820 166.9
[M+CH3COO]- 314.06385 198.4
[M+Na-2H]- 276.02467 155.2
[M]+ 255.04945 156.2
[M]- 255.05055 156.2
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.