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]+ 324.15291 176.3
[M+Na]+ 346.13485 186.1
[M-H]- 322.13835 183.3
[M+NH4]+ 341.17945 190.2
[M+K]+ 362.10879 178.9
[M+H-H2O]+ 306.14289 166.7
[M+HCOO]- 368.14383 189.5
[M+CH3COO]- 382.15948 186.8
[M+Na-2H]- 344.12030 176.3
[M]+ 323.14508 176.8
[M]- 323.14618 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.