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]+ 366.174696 181.0
[M+Na]+ 388.156638 186.3
[M-H]- 364.160144 189.6
[M+NH4]+ 383.201243 193.5
[M+K]+ 404.130578 179.9
[M+H-H2O]+ 348.164680 170.8
[M+HCOO]- 410.165621 198.9
[M+CH3COO]- 424.181271 190.3
[M+Na-2H]- 386.142086 184.8
[M]+ 365.16687142 179.2
[M]- 365.16796858 179.2
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.