CID 215173

35132-83-3

Structural Information

Molecular Formula
C21H29NO2
SMILES
CCCNCC(COC(CC1=CC=CC=C1)CC2=CC=CC=C2)O
InChI
InChI=1S/C21H29NO2/c1-2-13-22-16-20(23)17-24-21(14-18-9-5-3-6-10-18)15-19-11-7-4-8-12-19/h3-12,20-23H,2,13-17H2,1H3
InChIKey
KHLXGCZATOXATC-UHFFFAOYSA-N
Compound name
1-(1,3-diphenylpropan-2-yloxy)-3-(propylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.21982 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.227096 183.0
[M+Na]+ 350.209038 184.4
[M-H]- 326.212544 186.5
[M+NH4]+ 345.253643 195.1
[M+K]+ 366.182978 180.0
[M+H-H2O]+ 310.217080 173.9
[M+HCOO]- 372.218021 202.8
[M+CH3COO]- 386.233671 211.0
[M+Na-2H]- 348.194486 184.7
[M]+ 327.21927142 183.4
[M]- 327.22036858 183.4
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.