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]+ 394.206006 189.1
[M+Na]+ 416.187948 193.5
[M-H]- 392.191454 197.4
[M+NH4]+ 411.232553 200.5
[M+K]+ 432.161888 186.7
[M+H-H2O]+ 376.195990 178.5
[M+HCOO]- 438.196931 206.3
[M+CH3COO]- 452.212581 197.6
[M+Na-2H]- 414.173396 192.0
[M]+ 393.19818142 187.9
[M]- 393.19927858 187.9
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.