CID 54282

4-guanidinomethyl-2-phenylquinoline hydrochloride

Structural Information

Molecular Formula
C17H16N4
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)CN=C(N)N
InChI
InChI=1S/C17H16N4/c18-17(19)20-11-13-10-16(12-6-2-1-3-7-12)21-15-9-5-4-8-14(13)15/h1-10H,11H2,(H4,18,19,20)
InChIKey
LBAPFUFBSYPZFY-UHFFFAOYSA-N
Compound name
2-[(2-phenylquinolin-4-yl)methyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.13748 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.144756 162.9
[M+Na]+ 299.126698 169.5
[M-H]- 275.130204 169.4
[M+NH4]+ 294.171303 177.7
[M+K]+ 315.100638 164.0
[M+H-H2O]+ 259.134740 153.4
[M+HCOO]- 321.135681 187.3
[M+CH3COO]- 335.151331 174.0
[M+Na-2H]- 297.112146 170.1
[M]+ 276.13693142 159.6
[M]- 276.13802858 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

literature stripe

Patent stripe

No patent data available for this compound.