CID 12000200

2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-(2-thienyl)butan-2-ol

Structural Information

Molecular Formula
C17H16Cl2N2OS
SMILES
CC(C1=CC=CS1)C(CN2C=CN=C2)(C3=C(C=C(C=C3)Cl)Cl)O
InChI
InChI=1S/C17H16Cl2N2OS/c1-12(16-3-2-8-23-16)17(22,10-21-7-6-20-11-21)14-5-4-13(18)9-15(14)19/h2-9,11-12,22H,10H2,1H3
InChIKey
QNGJZQOGQHFYKV-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-thiophen-2-ylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.03604 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.04332 184.2
[M+Na]+ 389.02526 194.7
[M-H]- 365.02876 191.1
[M+NH4]+ 384.06986 199.1
[M+K]+ 404.99920 187.5
[M+H-H2O]+ 349.03330 177.3
[M+HCOO]- 411.03424 190.9
[M+CH3COO]- 425.04989 194.9
[M+Na-2H]- 387.01071 182.2
[M]+ 366.03549 190.7
[M]- 366.03659 190.7
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

No patent data available for this compound.