CID 90975

Brn 0493170

Structural Information

Molecular Formula
C20H26N2O
SMILES
C1CC2=CC=CC=C2NC1CN(CCC3=CC=CC=C3)CCO
InChI
InChI=1S/C20H26N2O/c23-15-14-22(13-12-17-6-2-1-3-7-17)16-19-11-10-18-8-4-5-9-20(18)21-19/h1-9,19,21,23H,10-16H2
InChIKey
UJBYRIKOTLHOAX-UHFFFAOYSA-N
Compound name
2-[2-phenylethyl(1,2,3,4-tetrahydroquinolin-2-ylmethyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.2045 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.211776 174.9
[M+Na]+ 333.193718 177.4
[M-H]- 309.197224 177.9
[M+NH4]+ 328.238323 187.4
[M+K]+ 349.167658 171.6
[M+H-H2O]+ 293.201760 165.3
[M+HCOO]- 355.202701 191.5
[M+CH3COO]- 369.218351 207.3
[M+Na-2H]- 331.179166 179.2
[M]+ 310.20395142 170.9
[M]- 310.20504858 170.9
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.