CID 9574919

[(z)-(2-chloro-1-pyrazin-2-yl-ethylidene)amino]thiourea

Structural Information

Molecular Formula
C7H8ClN5S
SMILES
C1=CN=C(C=N1)/C(=N/NC(=S)N)/CCl
InChI
InChI=1S/C7H8ClN5S/c8-3-5(12-13-7(9)14)6-4-10-1-2-11-6/h1-2,4H,3H2,(H3,9,13,14)/b12-5+
InChIKey
OYDDCKRMYIOMDL-LFYBBSHMSA-N
Compound name
[(Z)-(2-chloro-1-pyrazin-2-ylethylidene)amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.01889 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.02617 145.9
[M+Na]+ 252.00811 153.0
[M-H]- 228.01161 147.7
[M+NH4]+ 247.05271 161.8
[M+K]+ 267.98205 148.4
[M+H-H2O]+ 212.01615 138.4
[M+HCOO]- 274.01709 160.7
[M+CH3COO]- 288.03274 193.5
[M+Na-2H]- 249.99356 150.0
[M]+ 229.01834 145.8
[M]- 229.01944 145.8
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.