CID 9579460

127142-67-0

Structural Information

Molecular Formula
C10H14N6S2
SMILES
C/C(=N\NC(=S)NNC(=S)NC)/C1=CC=CC=N1
InChI
InChI=1S/C10H14N6S2/c1-7(8-5-3-4-6-12-8)13-15-10(18)16-14-9(17)11-2/h3-6H,1-2H3,(H2,11,14,17)(H2,15,16,18)/b13-7+
InChIKey
FNNUVXCEIARERO-NTUHNPAUSA-N
Compound name
1-methyl-3-[[(E)-1-pyridin-2-ylethylideneamino]carbamothioylamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.07214 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.07942 159.8
[M+Na]+ 305.06136 163.3
[M-H]- 281.06486 162.2
[M+NH4]+ 300.10596 173.6
[M+K]+ 321.03530 158.1
[M+H-H2O]+ 265.06940 150.7
[M+HCOO]- 327.07034 174.7
[M+CH3COO]- 341.08599 208.8
[M+Na-2H]- 303.04681 162.6
[M]+ 282.07159 156.8
[M]- 282.07269 156.8
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.