CID 3080487

128433-30-7

Structural Information

Molecular Formula
C19H19Cl2N3O2S
SMILES
CN(C1=C(C=C(C=C1)Cl)C(C2=CC=CC=C2Cl)O)C(=O)CSC3=NCCN3
InChI
InChI=1S/C19H19Cl2N3O2S/c1-24(17(25)11-27-19-22-8-9-23-19)16-7-6-12(20)10-14(16)18(26)13-4-2-3-5-15(13)21/h2-7,10,18,26H,8-9,11H2,1H3,(H,22,23)
InChIKey
LIYAQHYYCIVVPE-UHFFFAOYSA-N
Compound name
N-[4-chloro-2-[(2-chlorophenyl)-hydroxymethyl]phenyl]-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.0575 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.06478 195.8
[M+Na]+ 446.04672 208.3
[M+NH4]+ 441.09132 202.7
[M+K]+ 462.02066 201.0
[M-H]- 422.05022 199.8
[M+Na-2H]- 444.03217 202.4
[M]+ 423.05695 199.6
[M]- 423.05805 199.6
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.