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 175.8
[M+Na]+ 345.15734 184.7
[M-H]- 321.16084 185.1
[M+NH4]+ 340.20194 190.8
[M+K]+ 361.13128 181.9
[M+H-H2O]+ 305.16538 165.4
[M+HCOO]- 367.16632 193.0
[M+CH3COO]- 381.18197 187.1
[M+Na-2H]- 343.14279 182.1
[M]+ 322.16757 177.3
[M]- 322.16867 177.3
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.