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

literature stripe

Patent stripe

patents stripe