CID 473935

178979-16-3

Structural Information

Molecular Formula
C16H20Cl2N2OS
SMILES
CC(C)C1=C(N(C(=N1)CO)C(C)C)SC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C16H20Cl2N2OS/c1-9(2)15-16(20(10(3)4)14(8-21)19-15)22-13-6-11(17)5-12(18)7-13/h5-7,9-10,21H,8H2,1-4H3
InChIKey
HVJKIOVOYYGIOI-UHFFFAOYSA-N
Compound name
[5-(3,5-dichlorophenyl)sulfanyl-1,4-di(propan-2-yl)imidazol-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

358.06735 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.07463 178.2
[M+Na]+ 381.05657 188.4
[M-H]- 357.06007 181.6
[M+NH4]+ 376.10117 192.5
[M+K]+ 397.03051 181.4
[M+H-H2O]+ 341.06461 172.4
[M+HCOO]- 403.06555 182.1
[M+CH3COO]- 417.08120 211.6
[M+Na-2H]- 379.04202 172.7
[M]+ 358.06680 185.3
[M]- 358.06790 185.3
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