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]+ 340.15904 177.5
[M+Na]+ 362.14098 185.4
[M-H]- 338.14448 184.2
[M+NH4]+ 357.18558 192.0
[M+K]+ 378.11492 179.3
[M+H-H2O]+ 322.14902 168.1
[M+HCOO]- 384.14996 198.8
[M+CH3COO]- 398.16561 188.3
[M+Na-2H]- 360.12643 182.4
[M]+ 339.15121 181.6
[M]- 339.15231 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.