CID 3054298

71079-78-2

Structural Information

Molecular Formula
C22H27N5S
SMILES
CCCC1=NC2=CC=CC=C2C(=C1)NC(=NC3CCCCC3)NC4=NC=CS4
InChI
InChI=1S/C22H27N5S/c1-2-8-17-15-20(18-11-6-7-12-19(18)24-17)26-21(27-22-23-13-14-28-22)25-16-9-4-3-5-10-16/h6-7,11-16H,2-5,8-10H2,1H3,(H2,23,24,25,26,27)
InChIKey
TVTDSUKPDYYEAX-UHFFFAOYSA-N
Compound name
2-cyclohexyl-1-(2-propylquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

393.19873 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.20601 191.2
[M+Na]+ 416.18795 202.8
[M+NH4]+ 411.23255 199.6
[M+K]+ 432.16189 193.7
[M-H]- 392.19145 199.0
[M+Na-2H]- 414.17340 200.4
[M]+ 393.19818 195.4
[M]- 393.19928 195.4
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.