CID 51247

71080-05-2

Structural Information

Molecular Formula
C19H23N5S
SMILES
CCC(C)(C)N(C1=NC=CS1)C(=NC2=CC(=NC3=CC=CC=C32)C)N
InChI
InChI=1S/C19H23N5S/c1-5-19(3,4)24(18-21-10-11-25-18)17(20)23-16-12-13(2)22-15-9-7-6-8-14(15)16/h6-12H,5H2,1-4H3,(H2,20,22,23)
InChIKey
ZSAMYHHESBMROH-UHFFFAOYSA-N
Compound name
1-(2-methylbutan-2-yl)-2-(2-methylquinolin-4-yl)-1-(1,3-thiazol-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.16742 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.17470 183.3
[M+Na]+ 376.15664 194.7
[M+NH4]+ 371.20124 191.0
[M+K]+ 392.13058 188.0
[M-H]- 352.16014 188.5
[M+Na-2H]- 374.14209 191.4
[M]+ 353.16687 186.9
[M]- 353.16797 186.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.