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

6
Patents

280.1212 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.128476 160.7
[M+Na]+ 303.110418 169.8
[M-H]- 279.113924 170.5
[M+NH4]+ 298.155023 177.2
[M+K]+ 319.084358 167.6
[M+H-H2O]+ 263.118460 152.3
[M+HCOO]- 325.119401 181.4
[M+CH3COO]- 339.135051 173.5
[M+Na-2H]- 301.095866 166.6
[M]+ 280.12065142 163.0
[M]- 280.12174858 163.0
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