CID 3005935

1-(2,4-dichlorophenyl)-3-(pyrazine-2-carbonylamino)thiourea

Structural Information

Molecular Formula
C12H9Cl2N5OS
SMILES
C1=CC(=C(C=C1Cl)Cl)NC(=S)NNC(=O)C2=NC=CN=C2
InChI
InChI=1S/C12H9Cl2N5OS/c13-7-1-2-9(8(14)5-7)17-12(21)19-18-11(20)10-6-15-3-4-16-10/h1-6H,(H,18,20)(H2,17,19,21)
InChIKey
WZQKTRHTQVJKSJ-UHFFFAOYSA-N
Compound name
1-(2,4-dichlorophenyl)-3-(pyrazine-2-carbonylamino)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

340.99048 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.99776 170.1
[M+Na]+ 363.97970 178.0
[M-H]- 339.98320 174.0
[M+NH4]+ 359.02430 181.9
[M+K]+ 379.95364 170.9
[M+H-H2O]+ 323.98774 162.9
[M+HCOO]- 385.98868 179.4
[M+CH3COO]- 400.00433 209.8
[M+Na-2H]- 361.96515 173.6
[M]+ 340.98993 172.1
[M]- 340.99103 172.1
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.