CID 3054302

71079-82-8

Structural Information

Molecular Formula
C21H25N5S
SMILES
CC1=CC2=C(C=C(N=C2C=C1)C)NC(=NC3CCCCC3)NC4=NC=CS4
InChI
InChI=1S/C21H25N5S/c1-14-8-9-18-17(12-14)19(13-15(2)23-18)25-20(26-21-22-10-11-27-21)24-16-6-4-3-5-7-16/h8-13,16H,3-7H2,1-2H3,(H2,22,23,24,25,26)
InChIKey
BJWOZINCPBINPD-UHFFFAOYSA-N
Compound name
2-cyclohexyl-1-(2,6-dimethylquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

379.18307 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.19035 186.7
[M+Na]+ 402.17229 192.4
[M-H]- 378.17579 195.6
[M+NH4]+ 397.21689 199.0
[M+K]+ 418.14623 185.8
[M+H-H2O]+ 362.18033 176.6
[M+HCOO]- 424.18127 204.2
[M+CH3COO]- 438.19692 195.9
[M+Na-2H]- 400.15774 189.3
[M]+ 379.18252 185.6
[M]- 379.18362 185.6
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.