CID 9579497

127142-23-8

Structural Information

Molecular Formula
C14H15N7S2
SMILES
C/C(=N\NC(=S)NNC(=S)NC1=CC=CC=N1)/C2=CC=CC=N2
InChI
InChI=1S/C14H15N7S2/c1-10(11-6-2-4-8-15-11)18-20-14(23)21-19-13(22)17-12-7-3-5-9-16-12/h2-9H,1H3,(H2,20,21,23)(H2,16,17,19,22)/b18-10+
InChIKey
UPIRIEKBQVFKPR-VCHYOVAHSA-N
Compound name
1-pyridin-2-yl-3-[[(E)-1-pyridin-2-ylethylideneamino]carbamothioylamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

345.08304 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.09032 172.3
[M+Na]+ 368.07226 176.1
[M-H]- 344.07576 176.5
[M+NH4]+ 363.11686 182.2
[M+K]+ 384.04620 169.1
[M+H-H2O]+ 328.08030 162.4
[M+HCOO]- 390.08124 186.9
[M+CH3COO]- 404.09689 219.1
[M+Na-2H]- 366.05771 177.5
[M]+ 345.08249 169.3
[M]- 345.08359 169.3
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.