CID 3054906

Sgd 16077

Structural Information

Molecular Formula
C18H16Cl2N2OS
SMILES
C1=CC=C(C=C1)SCOC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C18H16Cl2N2OS/c19-14-6-7-16(17(20)10-14)18(11-22-9-8-21-12-22)23-13-24-15-4-2-1-3-5-15/h1-10,12,18H,11,13H2
InChIKey
ARVJIVGXWMSIDM-UHFFFAOYSA-N
Compound name
1-[2-(2,4-dichlorophenyl)-2-(phenylsulfanylmethoxy)ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.03604 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.04332 183.3
[M+Na]+ 401.02526 192.5
[M-H]- 377.02876 190.0
[M+NH4]+ 396.06986 196.2
[M+K]+ 416.99920 184.9
[M+H-H2O]+ 361.03330 174.7
[M+HCOO]- 423.03424 190.5
[M+CH3COO]- 437.04989 193.3
[M+Na-2H]- 399.01071 182.3
[M]+ 378.03549 190.0
[M]- 378.03659 190.0
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.