CID 3030542

76907-72-7

Structural Information

Molecular Formula
C18H30N2O
SMILES
CCN(CC)CC(CN1CCC(CC1)C2=CC=CC=C2)O
InChI
InChI=1S/C18H30N2O/c1-3-19(4-2)14-18(21)15-20-12-10-17(11-13-20)16-8-6-5-7-9-16/h5-9,17-18,21H,3-4,10-15H2,1-2H3
InChIKey
UOEYPOJHUUYOBX-UHFFFAOYSA-N
Compound name
1-(diethylamino)-3-(4-phenylpiperidin-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.2358 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.24308 174.2
[M+Na]+ 313.22502 175.3
[M-H]- 289.22852 177.5
[M+NH4]+ 308.26962 187.4
[M+K]+ 329.19896 172.4
[M+H-H2O]+ 273.23306 164.9
[M+HCOO]- 335.23400 190.7
[M+CH3COO]- 349.24965 207.4
[M+Na-2H]- 311.21047 174.3
[M]+ 290.23525 170.6
[M]- 290.23635 170.6
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.