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 165.4
[M+Na]+ 305.17367 168.9
[M-H]- 281.17717 171.2
[M+NH4]+ 300.21827 180.0
[M+K]+ 321.14761 164.4
[M+H-H2O]+ 265.18171 155.8
[M+HCOO]- 327.18265 186.1
[M+CH3COO]- 341.19830 175.1
[M+Na-2H]- 303.15912 170.5
[M]+ 282.18390 158.7
[M]- 282.18500 158.7
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.