CID 3011769

Schembl11222844

Structural Information

Molecular Formula
C17H14Cl2N2S
SMILES
C1=CC=C(C(=C1)CN2C=CN=C2)SCC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C17H14Cl2N2S/c18-15-6-5-13(9-16(15)19)11-22-17-4-2-1-3-14(17)10-21-8-7-20-12-21/h1-9,12H,10-11H2
InChIKey
HIXSCOXEULCUNF-UHFFFAOYSA-N
Compound name
1-[[2-[(3,4-dichlorophenyl)methylsulfanyl]phenyl]methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

348.02548 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.03276 177.0
[M+Na]+ 371.01470 188.0
[M-H]- 347.01820 183.9
[M+NH4]+ 366.05930 191.5
[M+K]+ 386.98864 179.6
[M+H-H2O]+ 331.02274 168.7
[M+HCOO]- 393.02368 185.1
[M+CH3COO]- 407.03933 188.0
[M+Na-2H]- 369.00015 176.4
[M]+ 348.02493 182.8
[M]- 348.02603 182.8
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.