CID 3054272

71079-29-3

Structural Information

Molecular Formula
C20H24N6S
SMILES
CC1=NC2=CC=CC=C2C(=C1)NC(=NC3CCCCC3)NC4=NN=C(S4)C
InChI
InChI=1S/C20H24N6S/c1-13-12-18(16-10-6-7-11-17(16)21-13)23-19(22-15-8-4-3-5-9-15)24-20-26-25-14(2)27-20/h6-7,10-12,15H,3-5,8-9H2,1-2H3,(H2,21,22,23,24,26)
InChIKey
YSUFVRRAEPPLNN-UHFFFAOYSA-N
Compound name
2-cyclohexyl-1-(2-methylquinolin-4-yl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

380.1783 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.18558 186.4
[M+Na]+ 403.16752 198.6
[M+NH4]+ 398.21212 194.3
[M+K]+ 419.14146 190.5
[M-H]- 379.17102 193.5
[M+Na-2H]- 401.15297 195.5
[M]+ 380.17775 190.5
[M]- 380.17885 190.5
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.