CID 3055145

72042-08-1

Structural Information

Molecular Formula
C20H25N5S
SMILES
CC1=NC2=CC=CC=C2C(=C1)NC(=NC3CCCCC3)NC4=NCCS4
InChI
InChI=1S/C20H25N5S/c1-14-13-18(16-9-5-6-10-17(16)22-14)24-19(25-20-21-11-12-26-20)23-15-7-3-2-4-8-15/h5-6,9-10,13,15H,2-4,7-8,11-12H2,1H3,(H2,21,22,23,24,25)
InChIKey
KREDTDIXTPXUHU-UHFFFAOYSA-N
Compound name
2-cyclohexyl-1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methylquinolin-4-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.18307 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.19035 182.0
[M+Na]+ 390.17229 185.4
[M-H]- 366.17579 189.9
[M+NH4]+ 385.21689 194.4
[M+K]+ 406.14623 179.5
[M+H-H2O]+ 350.18033 171.9
[M+HCOO]- 412.18127 197.1
[M+CH3COO]- 426.19692 190.4
[M+Na-2H]- 388.15774 184.0
[M]+ 367.18252 177.4
[M]- 367.18362 177.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.