CID 514439

Schembl6158284

Structural Information

Molecular Formula
C19H19Cl2N3O2S
SMILES
CC(C)N1C(=C(N(C1=O)C)COC2=CC=NC=C2)SC3=CC(=CC(=C3)Cl)Cl
InChI
InChI=1S/C19H19Cl2N3O2S/c1-12(2)24-18(27-16-9-13(20)8-14(21)10-16)17(23(3)19(24)25)11-26-15-4-6-22-7-5-15/h4-10,12H,11H2,1-3H3
InChIKey
XDFQQJPBZQVKQR-UHFFFAOYSA-N
Compound name
4-(3,5-dichlorophenyl)sulfanyl-1-methyl-3-propan-2-yl-5-(pyridin-4-yloxymethyl)imidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

423.0575 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.06478 194.3
[M+Na]+ 446.04672 206.1
[M-H]- 422.05022 200.9
[M+NH4]+ 441.09132 204.9
[M+K]+ 462.02066 198.5
[M+H-H2O]+ 406.05476 185.6
[M+HCOO]- 468.05570 200.0
[M+CH3COO]- 482.07135 204.2
[M+Na-2H]- 444.03217 190.1
[M]+ 423.05695 203.9
[M]- 423.05805 203.9
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