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 187.8
[M+Na]+ 392.15154 195.2
[M-H]- 368.15504 194.7
[M+NH4]+ 387.19614 201.0
[M+K]+ 408.12548 190.2
[M+H-H2O]+ 352.15958 178.6
[M+HCOO]- 414.16052 207.3
[M+CH3COO]- 428.17617 222.5
[M+Na-2H]- 390.13699 193.2
[M]+ 369.16177 192.9
[M]- 369.16287 192.9
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.