CID 3054339

71132-09-7

Structural Information

Molecular Formula
C21H25N5S
SMILES
CC1CCC(CC1)N=C(NC2=CC(=NC3=CC=CC=C32)C)NC4=NC=CS4
InChI
InChI=1S/C21H25N5S/c1-14-7-9-16(10-8-14)24-20(26-21-22-11-12-27-21)25-19-13-15(2)23-18-6-4-3-5-17(18)19/h3-6,11-14,16H,7-10H2,1-2H3,(H2,22,23,24,25,26)
InChIKey
KPOXUTOPFVWFCM-UHFFFAOYSA-N
Compound name
2-(4-methylcyclohexyl)-1-(2-methylquinolin-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

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.19035 187.7
[M+Na]+ 402.17229 199.9
[M+NH4]+ 397.21689 196.3
[M+K]+ 418.14623 191.1
[M-H]- 378.17579 195.6
[M+Na-2H]- 400.15774 196.9
[M]+ 379.18252 192.0
[M]- 379.18362 192.0
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.