CID 473923

Schembl6966836

Structural Information

Molecular Formula
C17H22Cl2N2OS
SMILES
CCCCN1C(=NC(=C1SC2=CC(=CC(=C2)Cl)Cl)C(C)C)CO
InChI
InChI=1S/C17H22Cl2N2OS/c1-4-5-6-21-15(10-22)20-16(11(2)3)17(21)23-14-8-12(18)7-13(19)9-14/h7-9,11,22H,4-6,10H2,1-3H3
InChIKey
YXXXRBYGRQBBRK-UHFFFAOYSA-N
Compound name
[1-butyl-5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-ylimidazol-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

372.08298 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.09026 183.6
[M+Na]+ 395.07220 193.6
[M-H]- 371.07570 186.6
[M+NH4]+ 390.11680 197.3
[M+K]+ 411.04614 185.9
[M+H-H2O]+ 355.08024 177.2
[M+HCOO]- 417.08118 188.0
[M+CH3COO]- 431.09683 213.6
[M+Na-2H]- 393.05765 178.4
[M]+ 372.08243 191.5
[M]- 372.08353 191.5
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