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]+ 281.12848 160.7
[M+Na]+ 303.11042 169.8
[M-H]- 279.11392 170.5
[M+NH4]+ 298.15502 177.2
[M+K]+ 319.08436 167.6
[M+H-H2O]+ 263.11846 152.3
[M+HCOO]- 325.11940 181.4
[M+CH3COO]- 339.13505 173.5
[M+Na-2H]- 301.09587 166.6
[M]+ 280.12065 163.0
[M]- 280.12175 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