CID 474059

178980-50-2

Structural Information

Molecular Formula
C19H19Cl2N3O2S
SMILES
CC(C)C1=C(N(C(=N1)CO)CC2=CCC(=O)N=C2)SC3=CC(=CC(=C3)Cl)Cl
InChI
InChI=1S/C19H19Cl2N3O2S/c1-11(2)18-19(27-15-6-13(20)5-14(21)7-15)24(16(10-25)23-18)9-12-3-4-17(26)22-8-12/h3,5-8,11,25H,4,9-10H2,1-2H3
InChIKey
QNLVFVXTBQEXTN-UHFFFAOYSA-N
Compound name
5-[[5-(3,5-dichlorophenyl)sulfanyl-2-(hydroxymethyl)-4-propan-2-ylimidazol-1-yl]methyl]-3H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

423.0575 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.06478 194.5
[M+Na]+ 446.04672 204.9
[M-H]- 422.05022 199.5
[M+NH4]+ 441.09132 204.3
[M+K]+ 462.02066 196.7
[M+H-H2O]+ 406.05476 186.4
[M+HCOO]- 468.05570 197.4
[M+CH3COO]- 482.07135 203.3
[M+Na-2H]- 444.03217 189.2
[M]+ 423.05695 201.1
[M]- 423.05805 201.1
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