CID 24209021

853333-53-6

Structural Information

Molecular Formula
C18H19N3S
SMILES
CC1=CSC(=N1)C2=NC3=CC=CC=C3C(=C2)N4CCCCC4
InChI
InChI=1S/C18H19N3S/c1-13-12-22-18(19-13)16-11-17(21-9-5-2-6-10-21)14-7-3-4-8-15(14)20-16/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3
InChIKey
BARGNXIQLVAEJF-UHFFFAOYSA-N
Compound name
4-methyl-2-(4-piperidin-1-ylquinolin-2-yl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.12997 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.13725 171.2
[M+Na]+ 332.11919 180.6
[M-H]- 308.12269 178.1
[M+NH4]+ 327.16379 185.4
[M+K]+ 348.09313 173.7
[M+H-H2O]+ 292.12723 161.6
[M+HCOO]- 354.12817 184.8
[M+CH3COO]- 368.14382 181.9
[M+Na-2H]- 330.10464 172.5
[M]+ 309.12942 171.1
[M]- 309.13052 171.1
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.