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 193.1
[M+Na]+ 446.04672 199.7
[M-H]- 422.05022 198.7
[M+NH4]+ 441.09132 203.2
[M+K]+ 462.02066 192.6
[M+H-H2O]+ 406.05476 185.6
[M+HCOO]- 468.05570 196.7
[M+CH3COO]- 482.07135 201.1
[M+Na-2H]- 444.03217 189.2
[M]+ 423.05695 196.7
[M]- 423.05805 196.7
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.