CID 117928

2-(phenethylaminomethyl)quinoline dihydrochloride

Structural Information

Molecular Formula
C18H18N2
SMILES
C1=CC=C(C=C1)CCNCC2=NC3=CC=CC=C3C=C2
InChI
InChI=1S/C18H18N2/c1-2-6-15(7-3-1)12-13-19-14-17-11-10-16-8-4-5-9-18(16)20-17/h1-11,19H,12-14H2
InChIKey
CLFUUAHVODFFDX-UHFFFAOYSA-N
Compound name
2-phenyl-N-(quinolin-2-ylmethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.147 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.154276 160.4
[M+Na]+ 285.136218 166.8
[M-H]- 261.139724 165.9
[M+NH4]+ 280.180823 176.0
[M+K]+ 301.110158 160.7
[M+H-H2O]+ 245.144260 151.0
[M+HCOO]- 307.145201 182.9
[M+CH3COO]- 321.160851 171.6
[M+Na-2H]- 283.121666 169.4
[M]+ 262.14645142 159.6
[M]- 262.14754858 159.6
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.