CID 3055197

Sgd 16177

Structural Information

Molecular Formula
C19H18Cl2N2OS
SMILES
CC1=CC=C(C=C1)SCOC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C19H18Cl2N2OS/c1-14-2-5-16(6-3-14)25-13-24-19(11-23-9-8-22-12-23)17-7-4-15(20)10-18(17)21/h2-10,12,19H,11,13H2,1H3
InChIKey
XTJPHNAVZRFXFA-UHFFFAOYSA-N
Compound name
1-[2-(2,4-dichlorophenyl)-2-[(4-methylphenyl)sulfanylmethoxy]ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.0517 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.05898 187.9
[M+Na]+ 415.04092 197.5
[M-H]- 391.04442 194.8
[M+NH4]+ 410.08552 200.5
[M+K]+ 431.01486 189.7
[M+H-H2O]+ 375.04896 179.4
[M+HCOO]- 437.04990 194.7
[M+CH3COO]- 451.06555 197.8
[M+Na-2H]- 413.02637 185.7
[M]+ 392.05115 195.4
[M]- 392.05225 195.4
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.