CID 473934

178979-15-2

Structural Information

Molecular Formula
C16H20Cl2N2OS
SMILES
CCCN1C(=NC(=C1SC2=CC(=CC(=C2)Cl)Cl)C(C)C)CO
InChI
InChI=1S/C16H20Cl2N2OS/c1-4-5-20-14(9-21)19-15(10(2)3)16(20)22-13-7-11(17)6-12(18)8-13/h6-8,10,21H,4-5,9H2,1-3H3
InChIKey
QVXYCWMLHWPWPR-UHFFFAOYSA-N
Compound name
[5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-yl-1-propylimidazol-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

358.06735 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.07463 179.3
[M+Na]+ 381.05657 189.7
[M-H]- 357.06007 182.4
[M+NH4]+ 376.10117 193.6
[M+K]+ 397.03051 182.2
[M+H-H2O]+ 341.06461 173.1
[M+HCOO]- 403.06555 184.0
[M+CH3COO]- 417.08120 210.7
[M+Na-2H]- 379.04202 174.6
[M]+ 358.06680 186.8
[M]- 358.06790 186.8
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

patents stripe