CID 766939

N-[(4-morpholin-4-ylphenyl)carbamothioyl]benzamide

Structural Information

Molecular Formula
C18H19N3O2S
SMILES
C1COCCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C18H19N3O2S/c22-17(14-4-2-1-3-5-14)20-18(24)19-15-6-8-16(9-7-15)21-10-12-23-13-11-21/h1-9H,10-13H2,(H2,19,20,22,24)
InChIKey
ZSOPSVVEKQFKQA-UHFFFAOYSA-N
Compound name
N-[(4-morpholin-4-ylphenyl)carbamothioyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

4
Patents

341.1198 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.127076 178.8
[M+Na]+ 364.109018 181.7
[M-H]- 340.112524 186.4
[M+NH4]+ 359.153623 188.4
[M+K]+ 380.082958 177.5
[M+H-H2O]+ 324.117060 169.0
[M+HCOO]- 386.118001 192.7
[M+CH3COO]- 400.133651 187.2
[M+Na-2H]- 362.094466 181.0
[M]+ 341.11925142 174.7
[M]- 341.12034858 174.7
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.