CID 3059718

77063-10-6

Structural Information

Molecular Formula
C22H38N2O
SMILES
CCCCN(CCCC)CC(CN1CCC(CC1)C2=CC=CC=C2)O
InChI
InChI=1S/C22H38N2O/c1-3-5-14-23(15-6-4-2)18-22(25)19-24-16-12-21(13-17-24)20-10-8-7-9-11-20/h7-11,21-22,25H,3-6,12-19H2,1-2H3
InChIKey
BIIVFGJZBBUKNK-UHFFFAOYSA-N
Compound name
1-(dibutylamino)-3-(4-phenylpiperidin-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.2984 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.30568 191.9
[M+Na]+ 369.28762 191.2
[M-H]- 345.29112 194.3
[M+NH4]+ 364.33222 202.7
[M+K]+ 385.26156 187.4
[M+H-H2O]+ 329.29566 181.8
[M+HCOO]- 391.29660 207.1
[M+CH3COO]- 405.31225 219.3
[M+Na-2H]- 367.27307 189.9
[M]+ 346.29785 189.8
[M]- 346.29895 189.8
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.