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 186.2
[M+Na]+ 403.16752 192.4
[M-H]- 379.17102 193.9
[M+NH4]+ 398.21212 197.1
[M+K]+ 419.14146 185.7
[M+H-H2O]+ 363.17556 175.5
[M+HCOO]- 425.17650 202.7
[M+CH3COO]- 439.19215 195.1
[M+Na-2H]- 401.15297 189.3
[M]+ 380.17775 185.3
[M]- 380.17885 185.3
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.