CID 3055139

72041-95-3

Structural Information

Molecular Formula
C18H21N5S
SMILES
CC1=NC2=C(C=CC=C2NC(=NC(C)(C)C)NC3=NC=CS3)C=C1
InChI
InChI=1S/C18H21N5S/c1-12-8-9-13-6-5-7-14(15(13)20-12)21-16(23-18(2,3)4)22-17-19-10-11-24-17/h5-11H,1-4H3,(H2,19,21,22,23)
InChIKey
OMZASHHCCQJEEO-UHFFFAOYSA-N
Compound name
2-tert-butyl-1-(2-methylquinolin-8-yl)-3-(1,3-thiazol-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

339.15176 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.159036 180.5
[M+Na]+ 362.140978 188.7
[M-H]- 338.144484 187.6
[M+NH4]+ 357.185583 195.1
[M+K]+ 378.114918 183.2
[M+H-H2O]+ 322.149020 171.7
[M+HCOO]- 384.149961 200.2
[M+CH3COO]- 398.165611 217.5
[M+Na-2H]- 360.126426 186.1
[M]+ 339.15121142 183.9
[M]- 339.15230858 183.9
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.