CID 3055134

Brn 5599137

Structural Information

Molecular Formula
C17H19N5S
SMILES
CC(C)(C)N=C(NC1=CC2=CC=CC=C2N=C1)NC3=NC=CS3
InChI
InChI=1S/C17H19N5S/c1-17(2,3)22-15(21-16-18-8-9-23-16)20-13-10-12-6-4-5-7-14(12)19-11-13/h4-11H,1-3H3,(H2,18,20,21,22)
InChIKey
FEJWSSOXAAPPTA-UHFFFAOYSA-N
Compound name
2-tert-butyl-1-quinolin-3-yl-3-(1,3-thiazol-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.1361 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.14338 174.5
[M+Na]+ 348.12532 186.1
[M+NH4]+ 343.16992 182.5
[M+K]+ 364.09926 178.9
[M-H]- 324.12882 179.6
[M+Na-2H]- 346.11077 183.5
[M]+ 325.13555 178.0
[M]- 325.13665 178.0
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.