CID 375401

Nsc655072

Structural Information

Molecular Formula
C13H17N5O2S4
SMILES
CN(C(=S)SC)NC(=O)C1=NC(=CC=C1)C(=O)NN(C)C(=S)SC
InChI
InChI=1S/C13H17N5O2S4/c1-17(12(21)23-3)15-10(19)8-6-5-7-9(14-8)11(20)16-18(2)13(22)24-4/h5-7H,1-4H3,(H,15,19)(H,16,20)
InChIKey
OUANBUWDNZXOSX-UHFFFAOYSA-N
Compound name
methyl N-methyl-N-[[6-[[methyl(methylsulfanylcarbothioyl)amino]carbamoyl]pyridine-2-carbonyl]amino]carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.02652 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.03380 188.7
[M+Na]+ 426.01574 190.2
[M-H]- 402.01924 188.9
[M+NH4]+ 421.06034 197.0
[M+K]+ 441.98968 181.8
[M+H-H2O]+ 386.02378 179.2
[M+HCOO]- 448.02472 186.9
[M+CH3COO]- 462.04037 229.4
[M+Na-2H]- 424.00119 188.2
[M]+ 403.02597 186.3
[M]- 403.02707 186.3
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.