CID 474106

178980-48-8

Structural Information

Molecular Formula
C17H22Cl2N2O2S
SMILES
CC(C)C1=C(N(C(=N1)CO)CC(C)(C)O)SC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C17H22Cl2N2O2S/c1-10(2)15-16(24-13-6-11(18)5-12(19)7-13)21(9-17(3,4)23)14(8-22)20-15/h5-7,10,22-23H,8-9H2,1-4H3
InChIKey
HUDHUNCDOYEPGH-UHFFFAOYSA-N
Compound name
1-[5-(3,5-dichlorophenyl)sulfanyl-2-(hydroxymethyl)-4-propan-2-ylimidazol-1-yl]-2-methylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

388.0779 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.08518 187.4
[M+Na]+ 411.06712 196.9
[M-H]- 387.07062 189.5
[M+NH4]+ 406.11172 199.8
[M+K]+ 427.04106 189.6
[M+H-H2O]+ 371.07516 181.9
[M+HCOO]- 433.07610 189.1
[M+CH3COO]- 447.09175 213.7
[M+Na-2H]- 409.05257 183.2
[M]+ 388.07735 194.4
[M]- 388.07845 194.4
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.