CID 71310

Atipamezole

Structural Information

Molecular Formula
C14H16N2
SMILES
CCC1(CC2=CC=CC=C2C1)C3=CN=CN3
InChI
InChI=1S/C14H16N2/c1-2-14(13-9-15-10-16-13)7-11-5-3-4-6-12(11)8-14/h3-6,9-10H,2,7-8H2,1H3,(H,15,16)
InChIKey
HSWPZIDYAHLZDD-UHFFFAOYSA-N
Compound name
5-(2-ethyl-1,3-dihydroinden-2-yl)-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

556
References

5087
Patents

212.13135 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.13863 149.0
[M+Na]+ 235.12057 161.5
[M+NH4]+ 230.16517 159.7
[M+K]+ 251.09451 155.5
[M-H]- 211.12407 152.0
[M+Na-2H]- 233.10602 157.2
[M]+ 212.13080 151.7
[M]- 212.13190 151.7
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