CID 213041

Fipamezole

Structural Information

Molecular Formula
C14H15FN2
SMILES
CCC1(CC2=C(C1)C=C(C=C2)F)C3=CN=CN3
InChI
InChI=1S/C14H15FN2/c1-2-14(13-8-16-9-17-13)6-10-3-4-12(15)5-11(10)7-14/h3-5,8-9H,2,6-7H2,1H3,(H,16,17)
InChIKey
KXSUAWAUCNFBQJ-UHFFFAOYSA-N
Compound name
5-(2-ethyl-5-fluoro-1,3-dihydroinden-2-yl)-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

11
References

367
Patents

230.12193 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.129206 151.0
[M+Na]+ 253.111148 160.5
[M-H]- 229.114654 154.0
[M+NH4]+ 248.155753 172.4
[M+K]+ 269.085088 155.1
[M+H-H2O]+ 213.119190 142.9
[M+HCOO]- 275.120131 170.5
[M+CH3COO]- 289.135781 163.3
[M+Na-2H]- 251.096596 154.1
[M]+ 230.12138142 148.4
[M]- 230.12247858 148.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe