CID 3054308

71079-93-1

Structural Information

Molecular Formula
C19H23N5S
SMILES
CC1=CC2=C(C=C(N=C2C=C1)C)NC(=NC(C)(C)C)NC3=NC=CS3
InChI
InChI=1S/C19H23N5S/c1-12-6-7-15-14(10-12)16(11-13(2)21-15)22-17(24-19(3,4)5)23-18-20-8-9-25-18/h6-11H,1-5H3,(H2,20,21,22,23,24)
InChIKey
CUXVMFZKLYARIV-UHFFFAOYSA-N
Compound name
2-tert-butyl-1-(2,6-dimethylquinolin-4-yl)-3-(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 185.8
[M+Na]+ 376.15664 194.4
[M-H]- 352.16014 193.1
[M+NH4]+ 371.20124 200.1
[M+K]+ 392.13058 188.7
[M+H-H2O]+ 336.16468 177.0
[M+HCOO]- 398.16562 205.1
[M+CH3COO]- 412.18127 221.6
[M+Na-2H]- 374.14209 190.1
[M]+ 353.16687 190.0
[M]- 353.16797 190.0
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.