CID 1022223

N-[[2-(benzoylcarbamothioylamino)phenyl]carbamothioyl]benzamide

Structural Information

Molecular Formula
C22H18N4O2S2
SMILES
C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2NC(=S)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C22H18N4O2S2/c27-19(15-9-3-1-4-10-15)25-21(29)23-17-13-7-8-14-18(17)24-22(30)26-20(28)16-11-5-2-6-12-16/h1-14H,(H2,23,25,27,29)(H2,24,26,28,30)
InChIKey
HRSSNLZAZVKDLH-UHFFFAOYSA-N
Compound name
N-[[2-(benzoylcarbamothioylamino)phenyl]carbamothioyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

434.08713 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.09441 193.1
[M+Na]+ 457.07635 201.8
[M+NH4]+ 452.12095 199.2
[M+K]+ 473.05029 192.5
[M-H]- 433.07985 199.8
[M+Na-2H]- 455.06180 202.6
[M]+ 434.08658 196.8
[M]- 434.08768 196.8
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