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]+ 340.190716 182.7
[M+Na]+ 362.172658 187.1
[M-H]- 338.176164 193.8
[M+NH4]+ 357.217263 196.0
[M+K]+ 378.146598 186.6
[M+H-H2O]+ 322.180700 175.6
[M+HCOO]- 384.181641 205.2
[M+CH3COO]- 398.197291 211.8
[M+Na-2H]- 360.158106 185.7
[M]+ 339.18289142 187.7
[M]- 339.18398858 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.