CID 24209019

853333-51-4

Structural Information

Molecular Formula
C19H21N3S
SMILES
CC1CCN(CC1)C2=CC(=NC3=CC=CC=C32)C4=NC(=CS4)C
InChI
InChI=1S/C19H21N3S/c1-13-7-9-22(10-8-13)18-11-17(19-20-14(2)12-23-19)21-16-6-4-3-5-15(16)18/h3-6,11-13H,7-10H2,1-2H3
InChIKey
VIAOSNRGPVAGIT-UHFFFAOYSA-N
Compound name
4-methyl-2-[4-(4-methylpiperidin-1-yl)quinolin-2-yl]-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.14563 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.152906 176.3
[M+Na]+ 346.134848 186.1
[M-H]- 322.138354 183.3
[M+NH4]+ 341.179453 190.2
[M+K]+ 362.108788 178.9
[M+H-H2O]+ 306.142890 166.7
[M+HCOO]- 368.143831 189.5
[M+CH3COO]- 382.159481 186.8
[M+Na-2H]- 344.120296 176.3
[M]+ 323.14508142 176.8
[M]- 323.14617858 176.8
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.