CID 474095

178980-76-2

Structural Information

Molecular Formula
C23H26Cl2N2OS
SMILES
CCN1C(=NC(=C1SC2=CC(=CC(=C2)Cl)Cl)C(C)C)CCOCC3=CC=CC=C3
InChI
InChI=1S/C23H26Cl2N2OS/c1-4-27-21(10-11-28-15-17-8-6-5-7-9-17)26-22(16(2)3)23(27)29-20-13-18(24)12-19(25)14-20/h5-9,12-14,16H,4,10-11,15H2,1-3H3
InChIKey
VHVLXTMWXFXHLI-UHFFFAOYSA-N
Compound name
5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-2-(2-phenylmethoxyethyl)-4-propan-2-ylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

448.1143 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.12158 205.4
[M+Na]+ 471.10352 214.7
[M-H]- 447.10702 212.2
[M+NH4]+ 466.14812 216.2
[M+K]+ 487.07746 206.1
[M+H-H2O]+ 431.11156 196.5
[M+HCOO]- 493.11250 210.7
[M+CH3COO]- 507.12815 214.1
[M+Na-2H]- 469.08897 199.8
[M]+ 448.11375 214.9
[M]- 448.11485 214.9
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

patents stripe