CID 3000589

2-(4-aminoanilino)-n-(2-naphthyl)-2-thioxo-acetamide

Structural Information

Molecular Formula
C18H15N3OS
SMILES
C1=CC=C2C=C(C=CC2=C1)NC(=O)C(=S)NC3=CC=C(C=C3)N
InChI
InChI=1S/C18H15N3OS/c19-14-6-9-15(10-7-14)21-18(23)17(22)20-16-8-5-12-3-1-2-4-13(12)11-16/h1-11H,19H2,(H,20,22)(H,21,23)
InChIKey
KOXFVQWEPISIJD-UHFFFAOYSA-N
Compound name
2-(4-aminoanilino)-N-naphthalen-2-yl-2-sulfanylideneacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.0936 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.10088 171.2
[M+Na]+ 344.08282 177.1
[M-H]- 320.08632 177.9
[M+NH4]+ 339.12742 185.5
[M+K]+ 360.05676 170.8
[M+H-H2O]+ 304.09086 163.1
[M+HCOO]- 366.09180 189.8
[M+CH3COO]- 380.10745 181.3
[M+Na-2H]- 342.06827 175.3
[M]+ 321.09305 169.2
[M]- 321.09415 169.2
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.