CID 9588159

Guanidine, 2-(2-methyl-4-quinolyl)-1-phenyl-3-(2-thiazolyl)-

Structural Information

Molecular Formula
C20H17N5S
SMILES
CC1=NC2=CC=CC=C2C(=C1)N/C(=N/C3=NC=CS3)/NC4=CC=CC=C4
InChI
InChI=1S/C20H17N5S/c1-14-13-18(16-9-5-6-10-17(16)22-14)24-19(25-20-21-11-12-26-20)23-15-7-3-2-4-8-15/h2-13H,1H3,(H2,21,22,23,24,25)
InChIKey
PTVBYRWHZDQNAU-UHFFFAOYSA-N
Compound name
1-(2-methylquinolin-4-yl)-3-phenyl-2-(1,3-thiazol-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.12045 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.12773 179.9
[M+Na]+ 382.10967 188.4
[M-H]- 358.11317 189.9
[M+NH4]+ 377.15427 193.0
[M+K]+ 398.08361 181.3
[M+H-H2O]+ 342.11771 169.9
[M+HCOO]- 404.11865 202.0
[M+CH3COO]- 418.13430 190.8
[M+Na-2H]- 380.09512 186.5
[M]+ 359.11990 182.2
[M]- 359.12100 182.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.