CID 132111

Naphthylmedetomidine

Structural Information

Molecular Formula
C15H14N2
SMILES
CC(C1=CC=CC2=CC=CC=C21)C3=CN=CN3
InChI
InChI=1S/C15H14N2/c1-11(15-9-16-10-17-15)13-8-4-6-12-5-2-3-7-14(12)13/h2-11H,1H3,(H,16,17)
InChIKey
DZSQSLQSMKNVBV-UHFFFAOYSA-N
Compound name
5-(1-naphthalen-1-ylethyl)-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

240
Patents

222.11569 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.12297 149.4
[M+Na]+ 245.10491 158.3
[M-H]- 221.10841 153.4
[M+NH4]+ 240.14951 167.0
[M+K]+ 261.07885 152.5
[M+H-H2O]+ 205.11295 141.1
[M+HCOO]- 267.11389 170.4
[M+CH3COO]- 281.12954 161.8
[M+Na-2H]- 243.09036 155.9
[M]+ 222.11514 148.8
[M]- 222.11624 148.8
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