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]+ 370.169596 187.8
[M+Na]+ 392.151538 195.2
[M-H]- 368.155044 194.7
[M+NH4]+ 387.196143 201.0
[M+K]+ 408.125478 190.2
[M+H-H2O]+ 352.159580 178.6
[M+HCOO]- 414.160521 207.3
[M+CH3COO]- 428.176171 222.5
[M+Na-2H]- 390.136986 193.2
[M]+ 369.16177142 192.9
[M]- 369.16286858 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.