CID 473948

178979-29-8

Structural Information

Molecular Formula
C14H16Cl2N2OS
SMILES
CC(C)C1=C(N=C(N1C)CO)SC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C14H16Cl2N2OS/c1-8(2)13-14(17-12(7-19)18(13)3)20-11-5-9(15)4-10(16)6-11/h4-6,8,19H,7H2,1-3H3
InChIKey
MLIDADUXZFQYBY-UHFFFAOYSA-N
Compound name
[4-(3,5-dichlorophenyl)sulfanyl-1-methyl-5-propan-2-ylimidazol-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

330.03604 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.04332 170.5
[M+Na]+ 353.02526 181.9
[M-H]- 329.02876 174.1
[M+NH4]+ 348.06986 186.0
[M+K]+ 368.99920 174.8
[M+H-H2O]+ 313.03330 164.8
[M+HCOO]- 375.03424 175.9
[M+CH3COO]- 389.04989 205.0
[M+Na-2H]- 351.01071 166.8
[M]+ 330.03549 177.4
[M]- 330.03659 177.4
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