CID 3000590

2-(2-hydroxyanilino)-n-(1-naphthyl)-2-thioxo-acetamide

Structural Information

Molecular Formula
C18H14N2O2S
SMILES
C1=CC=C2C(=C1)C=CC=C2NC(=O)C(=S)NC3=CC=CC=C3O
InChI
InChI=1S/C18H14N2O2S/c21-16-11-4-3-9-15(16)20-18(23)17(22)19-14-10-5-7-12-6-1-2-8-13(12)14/h1-11,21H,(H,19,22)(H,20,23)
InChIKey
VTTASKMNNUGASL-UHFFFAOYSA-N
Compound name
2-(2-hydroxyanilino)-N-naphthalen-1-yl-2-sulfanylideneacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.0776 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.08488 171.1
[M+Na]+ 345.06682 177.2
[M-H]- 321.07032 177.1
[M+NH4]+ 340.11142 185.2
[M+K]+ 361.04076 171.0
[M+H-H2O]+ 305.07486 163.4
[M+HCOO]- 367.07580 188.1
[M+CH3COO]- 381.09145 181.2
[M+Na-2H]- 343.05227 175.3
[M]+ 322.07705 170.3
[M]- 322.07815 170.3
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.