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 172.0
[M+Na]+ 321.15734 175.6
[M-H]- 297.16084 181.3
[M+NH4]+ 316.20194 184.6
[M+K]+ 337.13128 173.7
[M+H-H2O]+ 281.16538 162.6
[M+HCOO]- 343.16632 192.0
[M+CH3COO]- 357.18197 182.0
[M+Na-2H]- 319.14279 178.8
[M]+ 298.16757 168.0
[M]- 298.16867 168.0
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

No patent data available for this compound.