CID 3000584

2-(2-hydroxyanilino)-n-(p-tolyl)-2-thioxo-acetamide

Structural Information

Molecular Formula
C15H14N2O2S
SMILES
CC1=CC=C(C=C1)NC(=O)C(=S)NC2=CC=CC=C2O
InChI
InChI=1S/C15H14N2O2S/c1-10-6-8-11(9-7-10)16-14(19)15(20)17-12-4-2-3-5-13(12)18/h2-9,18H,1H3,(H,16,19)(H,17,20)
InChIKey
BYRCNTKWAOHGGL-UHFFFAOYSA-N
Compound name
2-(2-hydroxyanilino)-N-(4-methylphenyl)-2-sulfanylideneacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.0776 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.08488 164.5
[M+Na]+ 309.06682 170.4
[M-H]- 285.07032 169.9
[M+NH4]+ 304.11142 179.2
[M+K]+ 325.04076 165.2
[M+H-H2O]+ 269.07486 156.9
[M+HCOO]- 331.07580 182.5
[M+CH3COO]- 345.09145 200.8
[M+Na-2H]- 307.05227 166.1
[M]+ 286.07705 163.6
[M]- 286.07815 163.6
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.