CID 3002014

4-(.alpha.-pyridyl)-4'-ethoxy thiocarbanilide

Structural Information

Molecular Formula
C20H19N3OS
SMILES
CCOC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)C3=CC=CC=N3
InChI
InChI=1S/C20H19N3OS/c1-2-24-18-12-10-17(11-13-18)23-20(25)22-16-8-6-15(7-9-16)19-5-3-4-14-21-19/h3-14H,2H2,1H3,(H2,22,23,25)
InChIKey
IJQRNFYAGVPLRM-UHFFFAOYSA-N
Compound name
1-(4-ethoxyphenyl)-3-(4-pyridin-2-ylphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.12488 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.13216 181.1
[M+Na]+ 372.11410 187.0
[M-H]- 348.11760 189.1
[M+NH4]+ 367.15870 192.3
[M+K]+ 388.08804 180.1
[M+H-H2O]+ 332.12214 171.0
[M+HCOO]- 394.12308 199.8
[M+CH3COO]- 408.13873 190.7
[M+Na-2H]- 370.09955 184.7
[M]+ 349.12433 181.6
[M]- 349.12543 181.6
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.