CID 3055148

72042-11-6

Structural Information

Molecular Formula
C20H23N5S
SMILES
CC1=CC2=C(C=CN=C2C=C1)NC(=NC3CCCCC3)NC4=NC=CS4
InChI
InChI=1S/C20H23N5S/c1-14-7-8-17-16(13-14)18(9-10-21-17)24-19(25-20-22-11-12-26-20)23-15-5-3-2-4-6-15/h7-13,15H,2-6H2,1H3,(H2,21,22,23,24,25)
InChIKey
XYTOWEHTQRGGAY-UHFFFAOYSA-N
Compound name
2-cyclohexyl-1-(6-methylquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

365.16742 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.17470 182.6
[M+Na]+ 388.15664 194.6
[M+NH4]+ 383.20124 191.3
[M+K]+ 404.13058 185.9
[M-H]- 364.16014 190.5
[M+Na-2H]- 386.14209 192.3
[M]+ 365.16687 186.9
[M]- 365.16797 186.9
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.