CID 3054296

71079-76-0

Structural Information

Molecular Formula
C19H21N5S
SMILES
C1CCC(CC1)N=C(NC2=CC=NC3=CC=CC=C32)NC4=NC=CS4
InChI
InChI=1S/C19H21N5S/c1-2-6-14(7-3-1)22-18(24-19-21-12-13-25-19)23-17-10-11-20-16-9-5-4-8-15(16)17/h4-5,8-14H,1-3,6-7H2,(H2,20,21,22,23,24)
InChIKey
GGQUUPIUXCYZNL-UHFFFAOYSA-N
Compound name
2-cyclohexyl-1-quinolin-4-yl-3-(1,3-thiazol-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

351.15176 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.15904 177.6
[M+Na]+ 374.14098 189.5
[M+NH4]+ 369.18558 186.5
[M+K]+ 390.11492 180.9
[M-H]- 350.14448 185.4
[M+Na-2H]- 372.12643 187.8
[M]+ 351.15121 181.8
[M]- 351.15231 181.8
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.