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 184.3
[M+Na]+ 382.20022 186.8
[M-H]- 358.20372 191.6
[M+NH4]+ 377.24482 193.8
[M+K]+ 398.17416 180.5
[M+H-H2O]+ 342.20826 171.8
[M+HCOO]- 404.20920 203.7
[M+CH3COO]- 418.22485 192.1
[M+Na-2H]- 380.18567 190.7
[M]+ 359.21045 177.9
[M]- 359.21155 177.9
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.