CID 473949

178979-30-1

Structural Information

Molecular Formula
C16H18Cl2N2O2S
SMILES
CC(C)C1=C(N(C(=N1)COC(=O)C)C)SC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C16H18Cl2N2O2S/c1-9(2)15-16(20(4)14(19-15)8-22-10(3)21)23-13-6-11(17)5-12(18)7-13/h5-7,9H,8H2,1-4H3
InChIKey
STDPDTGXASUOLH-UHFFFAOYSA-N
Compound name
[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

372.0466 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.05388 181.0
[M+Na]+ 395.03582 191.7
[M-H]- 371.03932 185.8
[M+NH4]+ 390.08042 195.3
[M+K]+ 411.00976 185.6
[M+H-H2O]+ 355.04386 174.7
[M+HCOO]- 417.04480 186.7
[M+CH3COO]- 431.06045 214.6
[M+Na-2H]- 393.02127 175.9
[M]+ 372.04605 190.5
[M]- 372.04715 190.5
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