CID 215167

1-((alpha-benzylphenethyl)oxy)-3-(dibutylamino)-2-propanol oxalate salt

Structural Information

Molecular Formula
C26H39NO2
SMILES
CCCCN(CCCC)CC(COC(CC1=CC=CC=C1)CC2=CC=CC=C2)O
InChI
InChI=1S/C26H39NO2/c1-3-5-17-27(18-6-4-2)21-25(28)22-29-26(19-23-13-9-7-10-14-23)20-24-15-11-8-12-16-24/h7-16,25-26,28H,3-6,17-22H2,1-2H3
InChIKey
YKYWKFDDCGNCAC-UHFFFAOYSA-N
Compound name
1-(dibutylamino)-3-(1,3-diphenylpropan-2-yloxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.29807 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.30535 206.4
[M+Na]+ 420.28729 205.7
[M-H]- 396.29079 210.3
[M+NH4]+ 415.33189 216.1
[M+K]+ 436.26123 201.6
[M+H-H2O]+ 380.29533 196.1
[M+HCOO]- 442.29627 224.9
[M+CH3COO]- 456.31192 229.0
[M+Na-2H]- 418.27274 204.5
[M]+ 397.29752 209.7
[M]- 397.29862 209.7
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.