CID 3011770

1-[[2-[1-(3,4-dichlorophenyl)ethylsulfanyl]phenyl]methyl]imidazole

Structural Information

Molecular Formula
C18H16Cl2N2S
SMILES
CC(C1=CC(=C(C=C1)Cl)Cl)SC2=CC=CC=C2CN3C=CN=C3
InChI
InChI=1S/C18H16Cl2N2S/c1-13(14-6-7-16(19)17(20)10-14)23-18-5-3-2-4-15(18)11-22-9-8-21-12-22/h2-10,12-13H,11H2,1H3
InChIKey
UMOQTGOLDMUTAH-UHFFFAOYSA-N
Compound name
1-[[2-[1-(3,4-dichlorophenyl)ethylsulfanyl]phenyl]methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.04114 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.04842 180.7
[M+Na]+ 385.03036 190.9
[M-H]- 361.03386 187.6
[M+NH4]+ 380.07496 194.5
[M+K]+ 401.00430 182.7
[M+H-H2O]+ 345.03840 172.4
[M+HCOO]- 407.03934 187.5
[M+CH3COO]- 421.05499 191.2
[M+Na-2H]- 383.01581 178.8
[M]+ 362.04059 186.4
[M]- 362.04169 186.4
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.