CID 3054125

1,3-dioxane, 5,5-dimethyl-2-(1h-imidazol-1-ylmethyl)-2-(2-naphthalenyl)-, monohydrochloride

Structural Information

Molecular Formula
C20H22N2O2
SMILES
CC1(COC(OC1)(CN2C=CN=C2)C3=CC4=CC=CC=C4C=C3)C
InChI
InChI=1S/C20H22N2O2/c1-19(2)13-23-20(24-14-19,12-22-10-9-21-15-22)18-8-7-16-5-3-4-6-17(16)11-18/h3-11,15H,12-14H2,1-2H3
InChIKey
ZVLNPYROGHZTKY-UHFFFAOYSA-N
Compound name
1-[(5,5-dimethyl-2-naphthalen-2-yl-1,3-dioxan-2-yl)methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

322.16812 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.17540 174.4
[M+Na]+ 345.15734 190.6
[M+NH4]+ 340.20194 185.9
[M+K]+ 361.13128 180.5
[M-H]- 321.16084 183.0
[M+Na-2H]- 343.14279 185.8
[M]+ 322.16757 179.8
[M]- 322.16867 179.8
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

No patent data available for this compound.