CID 49768626

1-(2,6-dichlorophenyl)-3-(pyridine-4-carbonylamino)thiourea

Structural Information

Molecular Formula
C13H10Cl2N4OS
SMILES
C1=CC(=C(C(=C1)Cl)NC(=S)NNC(=O)C2=CC=NC=C2)Cl
InChI
InChI=1S/C13H10Cl2N4OS/c14-9-2-1-3-10(15)11(9)17-13(21)19-18-12(20)8-4-6-16-7-5-8/h1-7H,(H,18,20)(H2,17,19,21)
InChIKey
SOEUJHZJAVIRLY-UHFFFAOYSA-N
Compound name
1-(2,6-dichlorophenyl)-3-(pyridine-4-carbonylamino)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

339.99524 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.00252 171.5
[M+Na]+ 362.98446 179.0
[M-H]- 338.98796 176.6
[M+NH4]+ 358.02906 184.7
[M+K]+ 378.95840 171.8
[M+H-H2O]+ 322.99250 165.0
[M+HCOO]- 384.99344 181.8
[M+CH3COO]- 399.00909 210.0
[M+Na-2H]- 360.96991 174.2
[M]+ 339.99469 173.6
[M]- 339.99579 173.6
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.