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 169.0
[M+Na]+ 334.10967 177.8
[M-H]- 310.11317 176.1
[M+NH4]+ 329.15427 184.6
[M+K]+ 350.08361 172.1
[M+H-H2O]+ 294.11771 160.0
[M+HCOO]- 356.11865 191.0
[M+CH3COO]- 370.13430 180.7
[M+Na-2H]- 332.09512 174.8
[M]+ 311.11990 172.4
[M]- 311.12100 172.4
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.