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 186.0
[M+Na]+ 419.99468 191.8
[M-H]- 395.99818 192.2
[M+NH4]+ 415.03928 198.0
[M+K]+ 435.96862 185.4
[M+H-H2O]+ 380.00272 179.9
[M+HCOO]- 442.00366 196.3
[M+CH3COO]- 456.01931 219.9
[M+Na-2H]- 417.98013 186.5
[M]+ 397.00491 190.3
[M]- 397.00601 190.3
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.