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 164.8
[M+Na]+ 299.12670 178.4
[M+NH4]+ 294.17130 173.5
[M+K]+ 315.10064 170.1
[M-H]- 275.13020 171.7
[M+Na-2H]- 297.11215 174.5
[M]+ 276.13693 168.6
[M]- 276.13803 168.6
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.