CID 51241

Brn 5625946

Structural Information

Molecular Formula
C20H23N5S
SMILES
CC1=NC2=CC=CC=C2C(=C1)NC(=NC3(CCCC3)C)NC4=NC=CS4
InChI
InChI=1S/C20H23N5S/c1-14-13-17(15-7-3-4-8-16(15)22-14)23-18(24-19-21-11-12-26-19)25-20(2)9-5-6-10-20/h3-4,7-8,11-13H,5-6,9-10H2,1-2H3,(H2,21,22,23,24,25)
InChIKey
UXRGHLPVZSDLBT-UHFFFAOYSA-N
Compound name
2-(1-methylcyclopentyl)-1-(2-methylquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

365.16742 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.174696 182.1
[M+Na]+ 388.156638 189.5
[M-H]- 364.160144 192.1
[M+NH4]+ 383.201243 198.9
[M+K]+ 404.130578 183.9
[M+H-H2O]+ 348.164680 173.1
[M+HCOO]- 410.165621 202.5
[M+CH3COO]- 424.181271 192.8
[M+Na-2H]- 386.142086 185.2
[M]+ 365.16687142 183.3
[M]- 365.16796858 183.3
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.