CID 16078822

3-(5-chloro-2-thienyl)-2-(2,4-dichlorophenyl)-1-imidazol-1-yl-butan-2-ol

Structural Information

Molecular Formula
C17H15Cl3N2OS
SMILES
CC(C1=CC=C(S1)Cl)C(CN2C=CN=C2)(C3=C(C=C(C=C3)Cl)Cl)O
InChI
InChI=1S/C17H15Cl3N2OS/c1-11(15-4-5-16(20)24-15)17(23,9-22-7-6-21-10-22)13-3-2-12(18)8-14(13)19/h2-8,10-11,23H,9H2,1H3
InChIKey
BUJVBTNAJNFRCE-UHFFFAOYSA-N
Compound name
3-(5-chlorothiophen-2-yl)-2-(2,4-dichlorophenyl)-1-imidazol-1-ylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.99707 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.00435 190.5
[M+Na]+ 422.98629 201.3
[M-H]- 398.98979 196.4
[M+NH4]+ 418.03089 204.2
[M+K]+ 438.96023 193.8
[M+H-H2O]+ 382.99433 183.8
[M+HCOO]- 444.99527 191.6
[M+CH3COO]- 459.01092 200.1
[M+Na-2H]- 420.97174 186.7
[M]+ 399.99652 197.2
[M]- 399.99762 197.2
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.