CID 3055144

Brn 5550423

Structural Information

Molecular Formula
C17H22N4
SMILES
CC1=NC2=CC=CC=C2C(=C1)NC(=NC3CCCCC3)N
InChI
InChI=1S/C17H22N4/c1-12-11-16(14-9-5-6-10-15(14)19-12)21-17(18)20-13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8H2,1H3,(H3,18,19,20,21)
InChIKey
FVFCSQUOANFPNP-UHFFFAOYSA-N
Compound name
2-cyclohexyl-1-(2-methylquinolin-4-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.18445 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.19173 168.0
[M+Na]+ 305.17367 179.2
[M+NH4]+ 300.21827 176.7
[M+K]+ 321.14761 171.3
[M-H]- 281.17717 174.4
[M+Na-2H]- 303.15912 175.5
[M]+ 282.18390 171.2
[M]- 282.18500 171.2
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.