CID 3054299

Brn 5629868

Structural Information

Molecular Formula
C22H27N5S
SMILES
CC(C)C1=NC2=CC=CC=C2C(=C1)NC(=NC3CCCCC3)NC4=NC=CS4
InChI
InChI=1S/C22H27N5S/c1-15(2)19-14-20(17-10-6-7-11-18(17)25-19)26-21(27-22-23-12-13-28-22)24-16-8-4-3-5-9-16/h6-7,10-16H,3-5,8-9H2,1-2H3,(H2,23,24,25,26,27)
InChIKey
XYNKPCVBAICDRS-UHFFFAOYSA-N
Compound name
2-cyclohexyl-1-(2-propan-2-ylquinolin-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 190.0
[M+Na]+ 416.187948 194.0
[M-H]- 392.191454 198.4
[M+NH4]+ 411.232553 201.3
[M+K]+ 432.161888 187.8
[M+H-H2O]+ 376.195990 179.7
[M+HCOO]- 438.196931 206.2
[M+CH3COO]- 452.212581 198.3
[M+Na-2H]- 414.173396 191.9
[M]+ 393.19818142 188.3
[M]- 393.19927858 188.3
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.