CID 3054303

71079-84-0

Structural Information

Molecular Formula
C19H20ClN5S
SMILES
C1CCC(CC1)N=C(NC2=C3C=CC(=CC3=NC=C2)Cl)NC4=NC=CS4
InChI
InChI=1S/C19H20ClN5S/c20-13-6-7-15-16(8-9-21-17(15)12-13)24-18(25-19-22-10-11-26-19)23-14-4-2-1-3-5-14/h6-12,14H,1-5H2,(H2,21,22,23,24,25)
InChIKey
GXGLKEVEEXFXIV-UHFFFAOYSA-N
Compound name
1-(7-chloroquinolin-4-yl)-2-cyclohexyl-3-(1,3-thiazol-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

385.1128 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.12008 184.6
[M+Na]+ 408.10202 191.0
[M-H]- 384.10552 193.2
[M+NH4]+ 403.14662 197.2
[M+K]+ 424.07596 183.6
[M+H-H2O]+ 368.11006 175.0
[M+HCOO]- 430.11100 198.2
[M+CH3COO]- 444.12665 193.8
[M+Na-2H]- 406.08747 188.3
[M]+ 385.11225 184.8
[M]- 385.11335 184.8
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.