CID 68902

Timegadine

Structural Information

Molecular Formula
C20H23N5S
SMILES
CC1=NC2=CC=CC=C2C(=C1)NC(=NC3CCCCC3)NC4=NC=CS4
InChI
InChI=1S/C20H23N5S/c1-14-13-18(16-9-5-6-10-17(16)22-14)24-19(25-20-21-11-12-26-20)23-15-7-3-2-4-8-15/h5-6,9-13,15H,2-4,7-8H2,1H3,(H2,21,22,23,24,25)
InChIKey
SQVNITZYWXMWOG-UHFFFAOYSA-N
Compound name
2-cyclohexyl-1-(2-methylquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

21
References

1343
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

patents stripe