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 182.7
[M+Na]+ 362.17266 187.1
[M-H]- 338.17616 193.8
[M+NH4]+ 357.21726 196.0
[M+K]+ 378.14660 186.6
[M+H-H2O]+ 322.18070 175.6
[M+HCOO]- 384.18164 205.2
[M+CH3COO]- 398.19729 211.8
[M+Na-2H]- 360.15811 185.7
[M]+ 339.18289 187.7
[M]- 339.18399 187.7
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.