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 181.0
[M+Na]+ 388.15664 186.3
[M-H]- 364.16014 189.6
[M+NH4]+ 383.20124 193.5
[M+K]+ 404.13058 179.9
[M+H-H2O]+ 348.16468 170.8
[M+HCOO]- 410.16562 198.9
[M+CH3COO]- 424.18127 190.3
[M+Na-2H]- 386.14209 184.8
[M]+ 365.16687 179.2
[M]- 365.16797 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.