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
6
Annotation Hits

559
References

5581
Patents

212.13135 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.138626 148.8
[M+Na]+ 235.120568 157.3
[M-H]- 211.124074 152.8
[M+NH4]+ 230.165173 170.7
[M+K]+ 251.094508 152.4
[M+H-H2O]+ 195.128610 141.3
[M+HCOO]- 257.129551 169.3
[M+CH3COO]- 271.145201 161.3
[M+Na-2H]- 233.106016 153.0
[M]+ 212.13080142 146.8
[M]- 212.13189858 146.8
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