CID 511587

4-[2-(5-chloro-2-thienyl)-2-imidazol-1-yl-ethyl]aniline

Structural Information

Molecular Formula
C15H14ClN3S
SMILES
C1=CC(=CC=C1CC(C2=CC=C(S2)Cl)N3C=CN=C3)N
InChI
InChI=1S/C15H14ClN3S/c16-15-6-5-14(20-15)13(19-8-7-18-10-19)9-11-1-3-12(17)4-2-11/h1-8,10,13H,9,17H2
InChIKey
GOZLXXYZXBSDNH-UHFFFAOYSA-N
Compound name
4-[2-(5-chlorothiophen-2-yl)-2-imidazol-1-ylethyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.0597 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.06698 168.0
[M+Na]+ 326.04892 178.8
[M-H]- 302.05242 176.3
[M+NH4]+ 321.09352 185.1
[M+K]+ 342.02286 172.1
[M+H-H2O]+ 286.05696 160.3
[M+HCOO]- 348.05790 183.8
[M+CH3COO]- 362.07355 180.3
[M+Na-2H]- 324.03437 166.9
[M]+ 303.05915 172.2
[M]- 303.06025 172.2
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.