CID 473971

178979-52-7

Structural Information

Molecular Formula
C19H24Cl2N2O3S
SMILES
CCN1C(=NC(=C1SC2=CC(=CC(=C2)Cl)Cl)C(C)C)COCCOC(=O)C
InChI
InChI=1S/C19H24Cl2N2O3S/c1-5-23-17(11-25-6-7-26-13(4)24)22-18(12(2)3)19(23)27-16-9-14(20)8-15(21)10-16/h8-10,12H,5-7,11H2,1-4H3
InChIKey
ZPAYRTYWSCSUOJ-UHFFFAOYSA-N
Compound name
2-[[5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazol-2-yl]methoxy]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

430.08847 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.09575 196.7
[M+Na]+ 453.07769 205.8
[M-H]- 429.08119 201.0
[M+NH4]+ 448.12229 208.5
[M+K]+ 469.05163 199.7
[M+H-H2O]+ 413.08573 189.8
[M+HCOO]- 475.08667 201.7
[M+CH3COO]- 489.10232 225.0
[M+Na-2H]- 451.06314 190.5
[M]+ 430.08792 208.6
[M]- 430.08902 208.6
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

patents stripe