CID 474094

178980-30-8

Structural Information

Molecular Formula
C22H24Cl2N2OS
SMILES
CC(C)C1=C(N(C(=N1)CCOCC2=CC=CC=C2)C)SC3=CC(=CC(=C3)Cl)Cl
InChI
InChI=1S/C22H24Cl2N2OS/c1-15(2)21-22(28-19-12-17(23)11-18(24)13-19)26(3)20(25-21)9-10-27-14-16-7-5-4-6-8-16/h4-8,11-13,15H,9-10,14H2,1-3H3
InChIKey
TYDMCMGSBYRAAO-UHFFFAOYSA-N
Compound name
5-(3,5-dichlorophenyl)sulfanyl-1-methyl-2-(2-phenylmethoxyethyl)-4-propan-2-ylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

434.09863 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.10591 201.1
[M+Na]+ 457.08785 210.9
[M-H]- 433.09135 208.1
[M+NH4]+ 452.13245 212.5
[M+K]+ 473.06179 202.5
[M+H-H2O]+ 417.09589 192.5
[M+HCOO]- 479.09683 206.8
[M+CH3COO]- 493.11248 210.3
[M+Na-2H]- 455.07330 196.0
[M]+ 434.09808 210.3
[M]- 434.09918 210.3
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.