CID 3054312

71080-09-6

Structural Information

Molecular Formula
C22H25N5
SMILES
CC1=NC2=CC=CC=C2C(=C1)NC(=NC3CCCCC3)NC4=CC=CC=N4
InChI
InChI=1S/C22H25N5/c1-16-15-20(18-11-5-6-12-19(18)24-16)26-22(25-17-9-3-2-4-10-17)27-21-13-7-8-14-23-21/h5-8,11-15,17H,2-4,9-10H2,1H3,(H2,23,24,25,26,27)
InChIKey
VGLBBSYLMIMZAJ-UHFFFAOYSA-N
Compound name
2-cyclohexyl-1-(2-methylquinolin-4-yl)-3-pyridin-2-ylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

359.211 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.21828 188.8
[M+Na]+ 382.20022 202.0
[M+NH4]+ 377.24482 197.1
[M+K]+ 398.17416 192.5
[M-H]- 358.20372 197.2
[M+Na-2H]- 380.18567 199.0
[M]+ 359.21045 192.9
[M]- 359.21155 192.9
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.