CID 474090

178980-53-5

Structural Information

Molecular Formula
C22H24Cl2N2O2S
SMILES
CC(C)C1=C(N(C(=N1)COCC2=CC=CC=C2)CCO)SC3=CC(=CC(=C3)Cl)Cl
InChI
InChI=1S/C22H24Cl2N2O2S/c1-15(2)21-22(29-19-11-17(23)10-18(24)12-19)26(8-9-27)20(25-21)14-28-13-16-6-4-3-5-7-16/h3-7,10-12,15,27H,8-9,13-14H2,1-2H3
InChIKey
QEMLENQIJSJTAW-UHFFFAOYSA-N
Compound name
2-[5-(3,5-dichlorophenyl)sulfanyl-2-(phenylmethoxymethyl)-4-propan-2-ylimidazol-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

450.09357 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.10085 203.0
[M+Na]+ 473.08279 212.0
[M-H]- 449.08629 208.8
[M+NH4]+ 468.12739 213.0
[M+K]+ 489.05673 203.7
[M+H-H2O]+ 433.09083 194.8
[M+HCOO]- 495.09177 207.5
[M+CH3COO]- 509.10742 225.7
[M+Na-2H]- 471.06824 198.0
[M]+ 450.09302 211.9
[M]- 450.09412 211.9
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.