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]+ 263.15428 160.4
[M+Na]+ 285.13622 166.8
[M-H]- 261.13972 165.9
[M+NH4]+ 280.18082 176.0
[M+K]+ 301.11016 160.7
[M+H-H2O]+ 245.14426 151.0
[M+HCOO]- 307.14520 182.9
[M+CH3COO]- 321.16085 171.6
[M+Na-2H]- 283.12167 169.4
[M]+ 262.14645 159.6
[M]- 262.14755 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.