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]+ 394.20601 190.0
[M+Na]+ 416.18795 194.0
[M-H]- 392.19145 198.4
[M+NH4]+ 411.23255 201.3
[M+K]+ 432.16189 187.8
[M+H-H2O]+ 376.19599 179.7
[M+HCOO]- 438.19693 206.2
[M+CH3COO]- 452.21258 198.3
[M+Na-2H]- 414.17340 191.9
[M]+ 393.19818 188.3
[M]- 393.19928 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.