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]+ 299.175396 172.0
[M+Na]+ 321.157338 175.6
[M-H]- 297.160844 181.3
[M+NH4]+ 316.201943 184.6
[M+K]+ 337.131278 173.7
[M+H-H2O]+ 281.165380 162.6
[M+HCOO]- 343.166321 192.0
[M+CH3COO]- 357.181971 182.0
[M+Na-2H]- 319.142786 178.8
[M]+ 298.16757142 168.0
[M]- 298.16866858 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.