CID 117380

Quinoline, 2-((beta-hydroxyphenethylamino)methyl)-1,2,3,4-tetrahydro-, hydrochloride

Structural Information

Molecular Formula
C18H22N2O
SMILES
C1CC2=CC=CC=C2NC1CNCC(C3=CC=CC=C3)O
InChI
InChI=1S/C18H22N2O/c21-18(15-7-2-1-3-8-15)13-19-12-16-11-10-14-6-4-5-9-17(14)20-16/h1-9,16,18-21H,10-13H2
InChIKey
SMNXKWKICTWQGF-UHFFFAOYSA-N
Compound name
1-phenyl-2-(1,2,3,4-tetrahydroquinolin-2-ylmethylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.17322 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.18050 165.7
[M+Na]+ 305.16244 168.7
[M-H]- 281.16594 167.7
[M+NH4]+ 300.20704 178.7
[M+K]+ 321.13638 162.6
[M+H-H2O]+ 265.17048 156.9
[M+HCOO]- 327.17142 181.5
[M+CH3COO]- 341.18707 174.2
[M+Na-2H]- 303.14789 170.7
[M]+ 282.17267 159.3
[M]- 282.17377 159.3
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.