CID 9588160

Brn 5623338

Structural Information

Molecular Formula
C21H19N5S
SMILES
CC1=CC=CC=C1N/C(=N/C2=NC=CS2)/NC3=CC(=NC4=CC=CC=C43)C
InChI
InChI=1S/C21H19N5S/c1-14-7-3-5-9-17(14)24-20(26-21-22-11-12-27-21)25-19-13-15(2)23-18-10-6-4-8-16(18)19/h3-13H,1-2H3,(H2,22,23,24,25,26)
InChIKey
NRNBFRAQIOHWKK-UHFFFAOYSA-N
Compound name
1-(2-methylphenyl)-3-(2-methylquinolin-4-yl)-2-(1,3-thiazol-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

373.1361 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.14338 186.0
[M+Na]+ 396.12532 200.9
[M+NH4]+ 391.16992 194.7
[M+K]+ 412.09926 191.4
[M-H]- 372.12882 194.5
[M+Na-2H]- 394.11077 197.6
[M]+ 373.13555 191.1
[M]- 373.13665 191.1
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.