CID 9933938

Schembl6813850

Structural Information

Molecular Formula
C22H19Cl2N3O2S
SMILES
CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C(=C2)Cl)OCC3=CC=CC=C3)Cl
InChI
InChI=1S/C22H19Cl2N3O2S/c1-14(28)25-16-7-9-17(10-8-16)26-22(30)27-18-11-19(23)21(20(24)12-18)29-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,25,28)(H2,26,27,30)
InChIKey
WFYDVIGEVCRSMM-UHFFFAOYSA-N
Compound name
N-[4-[(3,5-dichloro-4-phenylmethoxyphenyl)carbamothioylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

459.0575 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.06478 204.6
[M+Na]+ 482.04672 211.0
[M-H]- 458.05022 213.5
[M+NH4]+ 477.09132 214.2
[M+K]+ 498.02066 202.8
[M+H-H2O]+ 442.05476 196.9
[M+HCOO]- 504.05570 214.8
[M+CH3COO]- 518.07135 234.7
[M+Na-2H]- 480.03217 204.5
[M]+ 459.05695 209.7
[M]- 459.05805 209.7
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

patents stripe