CID 473916

178978-97-7

Structural Information

Molecular Formula
C14H16Cl2N2OS
SMILES
CC(C)C1=C(N(C(=N1)CO)C)SC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C14H16Cl2N2OS/c1-8(2)13-14(18(3)12(7-19)17-13)20-11-5-9(15)4-10(16)6-11/h4-6,8,19H,7H2,1-3H3
InChIKey
DPFYGZSOTRICJF-UHFFFAOYSA-N
Compound name
[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
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

literature stripe

Patent stripe

patents stripe