CID 51233

Brn 5611397

Structural Information

Molecular Formula
C19H23N5S
SMILES
CC1=NC2=CC=CC=C2C(=C1)NC(=NC(C)(C)C)NC3=NC(=CS3)C
InChI
InChI=1S/C19H23N5S/c1-12-10-16(14-8-6-7-9-15(14)20-12)22-17(24-19(3,4)5)23-18-21-13(2)11-25-18/h6-11H,1-5H3,(H2,20,21,22,23,24)
InChIKey
OSRKVWBHNVHECI-UHFFFAOYSA-N
Compound name
2-tert-butyl-1-(2-methylquinolin-4-yl)-3-(4-methyl-1,3-thiazol-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

353.16742 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.17470 184.9
[M+Na]+ 376.15664 196.9
[M+NH4]+ 371.20124 192.6
[M+K]+ 392.13058 189.5
[M-H]- 352.16014 190.1
[M+Na-2H]- 374.14209 192.9
[M]+ 353.16687 188.6
[M]- 353.16797 188.6
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.