CID 3054301

71079-81-7

Structural Information

Molecular Formula
C25H25N5S
SMILES
C1CCC(CC1)N=C(NC2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)NC5=NC=CS5
InChI
InChI=1S/C25H25N5S/c1-3-9-18(10-4-1)22-17-23(20-13-7-8-14-21(20)28-22)29-24(30-25-26-15-16-31-25)27-19-11-5-2-6-12-19/h1,3-4,7-10,13-17,19H,2,5-6,11-12H2,(H2,26,27,28,29,30)
InChIKey
SLKOIDPPRRTDAD-UHFFFAOYSA-N
Compound name
2-cyclohexyl-1-(2-phenylquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

427.18307 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.19035 194.5
[M+Na]+ 450.17229 198.9
[M-H]- 426.17579 205.6
[M+NH4]+ 445.21689 203.8
[M+K]+ 466.14623 191.1
[M+H-H2O]+ 410.18033 183.1
[M+HCOO]- 472.18127 212.0
[M+CH3COO]- 486.19692 202.6
[M+Na-2H]- 448.15774 198.6
[M]+ 427.18252 191.7
[M]- 427.18362 191.7
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.