CID 474102

178980-57-9

Structural Information

Molecular Formula
C17H22Cl2N2O2S
SMILES
CC(C)C1=C(N(C(=N1)CCCO)CCO)SC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C17H22Cl2N2O2S/c1-11(2)16-17(24-14-9-12(18)8-13(19)10-14)21(5-7-23)15(20-16)4-3-6-22/h8-11,22-23H,3-7H2,1-2H3
InChIKey
NPPKBDURPNVCRH-UHFFFAOYSA-N
Compound name
3-[5-(3,5-dichlorophenyl)sulfanyl-1-(2-hydroxyethyl)-4-propan-2-ylimidazol-2-yl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

388.0779 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.08518 185.9
[M+Na]+ 411.06712 195.2
[M-H]- 387.07062 187.6
[M+NH4]+ 406.11172 198.2
[M+K]+ 427.04106 187.3
[M+H-H2O]+ 371.07516 179.8
[M+HCOO]- 433.07610 189.1
[M+CH3COO]- 447.09175 213.2
[M+Na-2H]- 409.05257 180.7
[M]+ 388.07735 193.4
[M]- 388.07845 193.4
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.