CID 473941

178979-22-1

Structural Information

Molecular Formula
C16H20Cl2N2O2S
SMILES
CC(C)C1=C(N(C(=N1)CO)CC(C)O)SC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C16H20Cl2N2O2S/c1-9(2)15-16(20(7-10(3)22)14(8-21)19-15)23-13-5-11(17)4-12(18)6-13/h4-6,9-10,21-22H,7-8H2,1-3H3
InChIKey
KRFKEBNRRXEWFY-UHFFFAOYSA-N
Compound name
1-[5-(3,5-dichlorophenyl)sulfanyl-2-(hydroxymethyl)-4-propan-2-ylimidazol-1-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

374.06226 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.06954 180.7
[M+Na]+ 397.05148 190.1
[M-H]- 373.05498 182.8
[M+NH4]+ 392.09608 193.5
[M+K]+ 413.02542 183.0
[M+H-H2O]+ 357.05952 175.2
[M+HCOO]- 419.06046 183.4
[M+CH3COO]- 433.07611 211.3
[M+Na-2H]- 395.03693 175.1
[M]+ 374.06171 187.4
[M]- 374.06281 187.4
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

No patent data available for this compound.