CID 51234

Brn 5606295

Structural Information

Molecular Formula
C18H21N5S
SMILES
CCCCN=C(NC1=CC(=NC2=CC=CC=C21)C)NC3=NC=CS3
InChI
InChI=1S/C18H21N5S/c1-3-4-9-19-17(23-18-20-10-11-24-18)22-16-12-13(2)21-15-8-6-5-7-14(15)16/h5-8,10-12H,3-4,9H2,1-2H3,(H2,19,20,21,22,23)
InChIKey
WZUBHXHNUJYUCJ-UHFFFAOYSA-N
Compound name
2-butyl-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

339.15176 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.159036 177.5
[M+Na]+ 362.140978 185.4
[M-H]- 338.144484 184.2
[M+NH4]+ 357.185583 192.0
[M+K]+ 378.114918 179.3
[M+H-H2O]+ 322.149020 168.1
[M+HCOO]- 384.149961 198.8
[M+CH3COO]- 398.165611 188.3
[M+Na-2H]- 360.126426 182.4
[M]+ 339.15121142 181.6
[M]- 339.15230858 181.6
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.