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]+ 311.21178 174.9
[M+Na]+ 333.19372 177.4
[M-H]- 309.19722 177.9
[M+NH4]+ 328.23832 187.4
[M+K]+ 349.16766 171.6
[M+H-H2O]+ 293.20176 165.3
[M+HCOO]- 355.20270 191.5
[M+CH3COO]- 369.21835 207.3
[M+Na-2H]- 331.17917 179.2
[M]+ 310.20395 170.9
[M]- 310.20505 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.