CID 52838

73987-04-9

Structural Information

Molecular Formula
C18H22N2O2
SMILES
C1C(COC(O1)C2=CC=CC=C2)(CNCC3=CC=CC=C3)N
InChI
InChI=1S/C18H22N2O2/c19-18(12-20-11-15-7-3-1-4-8-15)13-21-17(22-14-18)16-9-5-2-6-10-16/h1-10,17,20H,11-14,19H2
InChIKey
SXCSFQNJLIEUGL-UHFFFAOYSA-N
Compound name
5-[(benzylamino)methyl]-2-phenyl-1,3-dioxan-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.16812 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.17540 173.4
[M+Na]+ 321.15734 186.2
[M+NH4]+ 316.20194 183.3
[M+K]+ 337.13128 176.7
[M-H]- 297.16084 183.6
[M+Na-2H]- 319.14279 183.6
[M]+ 298.16757 178.3
[M]- 298.16867 178.3
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.