CID 51245

Brn 5611271

Structural Information

Molecular Formula
C20H25N5S
SMILES
CCCC1=NC2=CC=CC=C2C(=C1)NC(=NC(C)(C)C)NC3=NC=CS3
InChI
InChI=1S/C20H25N5S/c1-5-8-14-13-17(15-9-6-7-10-16(15)22-14)23-18(25-20(2,3)4)24-19-21-11-12-26-19/h6-7,9-13H,5,8H2,1-4H3,(H2,21,22,23,24,25)
InChIKey
PKFZSHWGLSTODX-UHFFFAOYSA-N
Compound name
2-tert-butyl-1-(2-propylquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

367.18307 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.19035 189.0
[M+Na]+ 390.17229 196.2
[M-H]- 366.17579 195.7
[M+NH4]+ 385.21689 202.4
[M+K]+ 406.14623 190.3
[M+H-H2O]+ 350.18033 179.8
[M+HCOO]- 412.18127 208.0
[M+CH3COO]- 426.19692 223.3
[M+Na-2H]- 388.15774 193.7
[M]+ 367.18252 193.1
[M]- 367.18362 193.1
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.