CID 4693690

131695-11-9

Structural Information

Molecular Formula
C16H15Cl2N3OS
SMILES
C1=CC=C(C=C1)C(=O)NC(C(Cl)Cl)NC(=S)NC2=CC=CC=C2
InChI
InChI=1S/C16H15Cl2N3OS/c17-13(18)14(20-15(22)11-7-3-1-4-8-11)21-16(23)19-12-9-5-2-6-10-12/h1-10,13-14H,(H,20,22)(H2,19,21,23)
InChIKey
KYBKLXXNQVHMEC-UHFFFAOYSA-N
Compound name
N-[2,2-dichloro-1-(phenylcarbamothioylamino)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.03128 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.03856 179.7
[M+Na]+ 390.02050 183.6
[M-H]- 366.02400 185.1
[M+NH4]+ 385.06510 192.4
[M+K]+ 405.99444 176.9
[M+H-H2O]+ 350.02854 173.6
[M+HCOO]- 412.02948 188.5
[M+CH3COO]- 426.04513 216.2
[M+Na-2H]- 388.00595 180.3
[M]+ 367.03073 181.0
[M]- 367.03183 181.0
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.