CID 3054123

1h-imidazole, 1-((2-(2-naphthalenyl)-1,3-dioxolan-2-yl)methyl)-, monohydrochloride

Structural Information

Molecular Formula
C17H16N2O2
SMILES
C1COC(O1)(CN2C=CN=C2)C3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C17H16N2O2/c1-2-4-15-11-16(6-5-14(15)3-1)17(20-9-10-21-17)12-19-8-7-18-13-19/h1-8,11,13H,9-10,12H2
InChIKey
HUTNUVIPNCHMIU-UHFFFAOYSA-N
Compound name
1-[(2-naphthalen-2-yl-1,3-dioxolan-2-yl)methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

280.1212 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.12848 161.1
[M+Na]+ 303.11042 176.5
[M+NH4]+ 298.15502 171.5
[M+K]+ 319.08436 170.8
[M-H]- 279.11392 169.1
[M+Na-2H]- 301.09587 171.2
[M]+ 280.12065 165.9
[M]- 280.12175 165.9
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

patents stripe