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 189.1
[M+Na]+ 416.18795 193.5
[M-H]- 392.19145 197.4
[M+NH4]+ 411.23255 200.5
[M+K]+ 432.16189 186.7
[M+H-H2O]+ 376.19599 178.5
[M+HCOO]- 438.19693 206.3
[M+CH3COO]- 452.21258 197.6
[M+Na-2H]- 414.17340 192.0
[M]+ 393.19818 187.9
[M]- 393.19928 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.