CID 3054297

Brn 5626735

Structural Information

Molecular Formula
C21H25N5S
SMILES
CCC1=NC2=CC=CC=C2C(=C1)NC(=NC3CCCCC3)NC4=NC=CS4
InChI
InChI=1S/C21H25N5S/c1-2-15-14-19(17-10-6-7-11-18(17)23-15)25-20(26-21-22-12-13-27-21)24-16-8-4-3-5-9-16/h6-7,10-14,16H,2-5,8-9H2,1H3,(H2,22,23,24,25,26)
InChIKey
AOJYZUCNDCIVNW-UHFFFAOYSA-N
Compound name
2-cyclohexyl-1-(2-ethylquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

379.18307 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.19035 186.9
[M+Na]+ 402.17229 198.7
[M+NH4]+ 397.21689 195.5
[M+K]+ 418.14623 189.8
[M-H]- 378.17579 194.7
[M+Na-2H]- 400.15774 196.4
[M]+ 379.18252 191.1
[M]- 379.18362 191.1
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.