CID 5271446

1-(2,4-dichlorophenyl)-3-[(2-pyrazin-2-yloxyacetyl)amino]thiourea

Structural Information

Molecular Formula
C13H11Cl2N5O2S
SMILES
C1=CC(=C(C=C1Cl)Cl)NC(=S)NNC(=O)COC2=NC=CN=C2
InChI
InChI=1S/C13H11Cl2N5O2S/c14-8-1-2-10(9(15)5-8)18-13(23)20-19-11(21)7-22-12-6-16-3-4-17-12/h1-6H,7H2,(H,19,21)(H2,18,20,23)
InChIKey
VAZVLBUELFHJOO-UHFFFAOYSA-N
Compound name
1-(2,4-dichlorophenyl)-3-[(2-pyrazin-2-yloxyacetyl)amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

371.00104 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.00832 176.3
[M+Na]+ 393.99026 183.5
[M-H]- 369.99376 180.1
[M+NH4]+ 389.03486 186.8
[M+K]+ 409.96420 176.9
[M+H-H2O]+ 353.99830 168.7
[M+HCOO]- 415.99924 185.5
[M+CH3COO]- 430.01489 214.9
[M+Na-2H]- 391.97571 179.6
[M]+ 371.00049 180.0
[M]- 371.00159 180.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.