CID 3055135

72041-91-9

Structural Information

Molecular Formula
C18H21N5S
SMILES
CC1=NC2=CC=CC=C2C=C1NC(=NC(C)(C)C)NC3=NC=CS3
InChI
InChI=1S/C18H21N5S/c1-12-15(11-13-7-5-6-8-14(13)20-12)21-16(23-18(2,3)4)22-17-19-9-10-24-17/h5-11H,1-4H3,(H2,19,21,22,23)
InChIKey
LVWHJXCSESVSFL-UHFFFAOYSA-N
Compound name
2-tert-butyl-1-(2-methylquinolin-3-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]+ 340.15904 179.7
[M+Na]+ 362.14098 191.5
[M+NH4]+ 357.18558 187.5
[M+K]+ 378.11492 184.2
[M-H]- 338.14448 184.8
[M+Na-2H]- 360.12643 188.1
[M]+ 339.15121 183.2
[M]- 339.15231 183.2
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.