CID 9575518

5-[(e)-[(ethylamino-$l^{4}-sulfanylidyne)methylhydrazono]methyl]-2-phenoxy-phenol

Structural Information

Molecular Formula
C16H17N3O2S
SMILES
CCNS#CN/N=C/C1=CC(=C(C=C1)OC2=CC=CC=C2)O
InChI
InChI=1S/C16H17N3O2S/c1-2-19-22-12-18-17-11-13-8-9-16(15(20)10-13)21-14-6-4-3-5-7-14/h3-11,18-20H,2H2,1H3/b17-11+
InChIKey
RGFPCOFBNOIUDM-GZTJUZNOSA-N
Compound name
5-[(E)-[(ethylamino-lambda4-sulfanylidyne)methylhydrazinylidene]methyl]-2-phenoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

315.10416 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.11144 178.7
[M+Na]+ 338.09338 187.1
[M-H]- 314.09688 183.0
[M+NH4]+ 333.13798 191.0
[M+K]+ 354.06732 180.5
[M+H-H2O]+ 298.10142 164.4
[M+HCOO]- 360.10236 194.6
[M+CH3COO]- 374.11801 214.0
[M+Na-2H]- 336.07883 181.1
[M]+ 315.10361 174.5
[M]- 315.10471 174.5
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

No patent data available for this compound.