CID 199547

1,1-di-2-furyl-2-methyl-3-(methylphenethylamino)-1-propanol oxalate

Structural Information

Molecular Formula
C21H25NO3
SMILES
CC(CN(C)CCC1=CC=CC=C1)C(C2=CC=CO2)(C3=CC=CO3)O
InChI
InChI=1S/C21H25NO3/c1-17(16-22(2)13-12-18-8-4-3-5-9-18)21(23,19-10-6-14-24-19)20-11-7-15-25-20/h3-11,14-15,17,23H,12-13,16H2,1-2H3
InChIKey
ZZEXJRAAHKPARU-UHFFFAOYSA-N
Compound name
1,1-bis(furan-2-yl)-2-methyl-3-[methyl(2-phenylethyl)amino]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.18344 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.19072 181.7
[M+Na]+ 362.17266 192.9
[M+NH4]+ 357.21726 188.8
[M+K]+ 378.14660 191.2
[M-H]- 338.17616 189.1
[M+Na-2H]- 360.15811 189.4
[M]+ 339.18289 185.5
[M]- 339.18399 185.5
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.