CID 1841203

123296-08-2

Structural Information

Molecular Formula
C16H13Cl2N3O3S
SMILES
C1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C16H13Cl2N3O3S/c17-11-6-7-13(12(18)8-11)24-9-14(22)20-21-16(25)19-15(23)10-4-2-1-3-5-10/h1-8H,9H2,(H,20,22)(H2,19,21,23,25)
InChIKey
HGOIHBWCRRWLPQ-UHFFFAOYSA-N
Compound name
N-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamothioyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.00546 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.01274 188.1
[M+Na]+ 419.99468 198.7
[M+NH4]+ 415.03928 194.4
[M+K]+ 435.96862 190.3
[M-H]- 395.99818 191.8
[M+Na-2H]- 417.98013 194.5
[M]+ 397.00491 191.3
[M]- 397.00601 191.3
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.