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]+ 366.17470 182.1
[M+Na]+ 388.15664 189.5
[M-H]- 364.16014 192.1
[M+NH4]+ 383.20124 198.9
[M+K]+ 404.13058 183.9
[M+H-H2O]+ 348.16468 173.1
[M+HCOO]- 410.16562 202.5
[M+CH3COO]- 424.18127 192.8
[M+Na-2H]- 386.14209 185.2
[M]+ 365.16687 183.3
[M]- 365.16797 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.