CID 2771545

N-phenyl-2-(phenylcarbamothioyl)acetamide

Structural Information

Molecular Formula
C15H14N2OS
SMILES
C1=CC=C(C=C1)NC(=O)CC(=S)NC2=CC=CC=C2
InChI
InChI=1S/C15H14N2OS/c18-14(16-12-7-3-1-4-8-12)11-15(19)17-13-9-5-2-6-10-13/h1-10H,11H2,(H,16,18)(H,17,19)
InChIKey
GHKCCINELGKJJE-UHFFFAOYSA-N
Compound name
3-anilino-N-phenyl-3-sulfanylidenepropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

270.08267 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.08995 160.8
[M+Na]+ 293.07189 165.6
[M-H]- 269.07539 166.9
[M+NH4]+ 288.11649 176.4
[M+K]+ 309.04583 160.5
[M+H-H2O]+ 253.07993 152.8
[M+HCOO]- 315.08087 180.2
[M+CH3COO]- 329.09652 199.3
[M+Na-2H]- 291.05734 164.2
[M]+ 270.08212 159.6
[M]- 270.08322 159.6
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

patents stripe