CID 670627

N-(3-chlorophenyl)-2-[(2-furylmethyl)amino]-2-thioxoacetamide

Structural Information

Molecular Formula
C13H11ClN2O2S
SMILES
C1=CC(=CC(=C1)Cl)NC(=O)C(=S)NCC2=CC=CO2
InChI
InChI=1S/C13H11ClN2O2S/c14-9-3-1-4-10(7-9)16-12(17)13(19)15-8-11-5-2-6-18-11/h1-7H,8H2,(H,15,19)(H,16,17)
InChIKey
QDAKSWLQXNGQOB-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)-2-(furan-2-ylmethylamino)-2-sulfanylideneacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.02298 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.03026 166.3
[M+Na]+ 317.01220 177.2
[M+NH4]+ 312.05680 174.2
[M+K]+ 332.98614 170.7
[M-H]- 293.01570 171.4
[M+Na-2H]- 314.99765 172.4
[M]+ 294.02243 169.8
[M]- 294.02353 169.8
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.