CID 51244

1-tert-butyl-2-(2-ethoxy-4-quinolyl)-3-(2-thiazolyl)guanidine dinitrate

Structural Information

Molecular Formula
C19H23N5OS
SMILES
CCOC1=NC2=CC=CC=C2C(=C1)NC(=NC(C)(C)C)NC3=NC=CS3
InChI
InChI=1S/C19H23N5OS/c1-5-25-16-12-15(13-8-6-7-9-14(13)21-16)22-17(24-19(2,3)4)23-18-20-10-11-26-18/h6-12H,5H2,1-4H3,(H2,20,21,22,23,24)
InChIKey
HQZMPMJKFAYCFR-UHFFFAOYSA-N
Compound name
2-tert-butyl-1-(2-ethoxyquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

369.16232 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.16960 187.1
[M+Na]+ 392.15154 198.2
[M+NH4]+ 387.19614 194.2
[M+K]+ 408.12548 191.2
[M-H]- 368.15504 191.7
[M+Na-2H]- 390.13699 195.0
[M]+ 369.16177 190.4
[M]- 369.16287 190.4
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.