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]+ 277.14476 162.9
[M+Na]+ 299.12670 169.5
[M-H]- 275.13020 169.4
[M+NH4]+ 294.17130 177.7
[M+K]+ 315.10064 164.0
[M+H-H2O]+ 259.13474 153.4
[M+HCOO]- 321.13568 187.3
[M+CH3COO]- 335.15133 174.0
[M+Na-2H]- 297.11215 170.1
[M]+ 276.13693 159.6
[M]- 276.13803 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.