CID 474091

178980-54-6

Structural Information

Molecular Formula
C15H18Cl2N2O2S
SMILES
CC(C)C1=C(N(C(=N1)CO)CCO)SC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C15H18Cl2N2O2S/c1-9(2)14-15(19(3-4-20)13(8-21)18-14)22-12-6-10(16)5-11(17)7-12/h5-7,9,20-21H,3-4,8H2,1-2H3
InChIKey
OIBSRXRRBAKURB-UHFFFAOYSA-N
Compound name
2-[5-(3,5-dichlorophenyl)sulfanyl-2-(hydroxymethyl)-4-propan-2-ylimidazol-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

360.0466 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.05388 177.3
[M+Na]+ 383.03582 187.5
[M-H]- 359.03932 179.4
[M+NH4]+ 378.08042 190.8
[M+K]+ 399.00976 180.1
[M+H-H2O]+ 343.04386 171.7
[M+HCOO]- 405.04480 181.2
[M+CH3COO]- 419.06045 207.5
[M+Na-2H]- 381.02127 173.0
[M]+ 360.04605 184.1
[M]- 360.04715 184.1
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