CID 51248

Brn 5592653

Structural Information

Molecular Formula
C16H17N5S
SMILES
CCN=C(NC1=CC(=NC2=CC=CC=C21)C)NC3=NC=CS3
InChI
InChI=1S/C16H17N5S/c1-3-17-15(21-16-18-8-9-22-16)20-14-10-11(2)19-13-7-5-4-6-12(13)14/h4-10H,3H2,1-2H3,(H2,17,18,19,20,21)
InChIKey
QNJZKUSPDWJXST-UHFFFAOYSA-N
Compound name
2-ethyl-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

311.12045 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.12773 169.6
[M+Na]+ 334.10967 182.2
[M+NH4]+ 329.15427 178.0
[M+K]+ 350.08361 174.1
[M-H]- 310.11317 175.4
[M+Na-2H]- 332.09512 178.6
[M]+ 311.11990 173.4
[M]- 311.12100 173.4
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.