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 185.7
[M+Na]+ 396.12532 194.6
[M-H]- 372.12882 195.9
[M+NH4]+ 391.16992 198.5
[M+K]+ 412.09926 187.2
[M+H-H2O]+ 356.13336 175.7
[M+HCOO]- 418.13430 207.3
[M+CH3COO]- 432.14995 196.4
[M+Na-2H]- 394.11077 191.0
[M]+ 373.13555 188.7
[M]- 373.13665 188.7
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.