CID 478181

Schembl6161382

Structural Information

Molecular Formula
C16H20Cl2N2O2S
SMILES
CC1=NC(=C(N1COCCO)SC2=CC(=CC(=C2)Cl)Cl)C(C)C
InChI
InChI=1S/C16H20Cl2N2O2S/c1-10(2)15-16(20(11(3)19-15)9-22-5-4-21)23-14-7-12(17)6-13(18)8-14/h6-8,10,21H,4-5,9H2,1-3H3
InChIKey
ANVBHKHRFKDTGD-UHFFFAOYSA-N
Compound name
2-[[5-(3,5-dichlorophenyl)sulfanyl-2-methyl-4-propan-2-ylimidazol-1-yl]methoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

374.06226 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.06954 182.0
[M+Na]+ 397.05148 192.2
[M-H]- 373.05498 185.2
[M+NH4]+ 392.09608 195.5
[M+K]+ 413.02542 185.3
[M+H-H2O]+ 357.05952 175.7
[M+HCOO]- 419.06046 187.0
[M+CH3COO]- 433.07611 212.7
[M+Na-2H]- 395.03693 177.5
[M]+ 374.06171 190.9
[M]- 374.06281 190.9
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

No patent data available for this compound.