CID 473927

178979-08-3

Structural Information

Molecular Formula
C16H18Cl2N2OS
SMILES
CC(C)C1=C(N(C(=N1)CO)CC=C)SC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C16H18Cl2N2OS/c1-4-5-20-14(9-21)19-15(10(2)3)16(20)22-13-7-11(17)6-12(18)8-13/h4,6-8,10,21H,1,5,9H2,2-3H3
InChIKey
KPGOYRXCKUVHLE-UHFFFAOYSA-N
Compound name
[5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-yl-1-prop-2-enylimidazol-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

356.0517 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.05898 178.9
[M+Na]+ 379.04092 189.7
[M-H]- 355.04442 182.1
[M+NH4]+ 374.08552 193.2
[M+K]+ 395.01486 181.5
[M+H-H2O]+ 339.04896 172.8
[M+HCOO]- 401.04990 183.8
[M+CH3COO]- 415.06555 210.0
[M+Na-2H]- 377.02637 174.1
[M]+ 356.05115 185.7
[M]- 356.05225 185.7
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